 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer01_STD_M11_def2SVPD.in
 Output=12_L-valine_conformer01_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-104445.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    104447.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer01_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:41:50 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer01_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.402321000000     -0.324803000000     -0.691175000000
  C                                                 1.066507000000     -0.567672000000      0.007328000000
  C                                                -0.024429000000      0.362752000000     -0.585977000000
  C                                                -1.397283000000     -0.077948000000     -0.093492000000
  O                                                -1.783162000000     -1.252166000000     -0.644037000000
  C                                                 1.193771000000     -0.401333000000      1.521948000000
  N                                                 0.250162000000      1.761590000000     -0.305646000000
  O                                                -2.076243000000      0.515013000000      0.704731000000
  H                                                -0.013738000000      0.217520000000     -1.668707000000
  H                                                 0.746938000000     -1.591919000000     -0.201878000000
  H                                                -2.645686000000     -1.478069000000     -0.261271000000
  H                                                -0.282255000000      2.356926000000     -0.927888000000
  H                                                -0.057810000000      1.989245000000      0.633366000000
  H                                                 1.549661000000      0.599343000000      1.774413000000
  H                                                 0.244241000000     -0.564166000000      2.035583000000
  H                                                 1.915182000000     -1.116450000000      1.920072000000
  H                                                 2.328990000000     -0.520041000000     -1.763324000000
  H                                                 2.720648000000      0.708970000000     -0.556172000000
  H                                                 3.172613000000     -0.981246000000     -0.282025000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:41:50 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.402321   -0.324803   -0.691175
      2          6           0        1.066507   -0.567672    0.007328
      3          6           0       -0.024429    0.362752   -0.585977
      4          6           0       -1.397283   -0.077948   -0.093492
      5          8           0       -1.783162   -1.252166   -0.644037
      6          6           0        1.193771   -0.401333    1.521948
      7          7           0        0.250162    1.761590   -0.305646
      8          8           0       -2.076243    0.515013    0.704731
      9          1           0       -0.013738    0.217520   -1.668707
     10          1           0        0.746938   -1.591919   -0.201878
     11          1           0       -2.645686   -1.478069   -0.261271
     12          1           0       -0.282255    2.356926   -0.927888
     13          1           0       -0.057810    1.989245    0.633366
     14          1           0        1.549661    0.599343    1.774413
     15          1           0        0.244241   -0.564166    2.035583
     16          1           0        1.915182   -1.116450    1.920072
     17          1           0        2.328990   -0.520041   -1.763324
     18          1           0        2.720648    0.708970   -0.556172
     19          1           0        3.172613   -0.981246   -0.282025
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526857   0.000000
     3  C    2.524463   1.551722   0.000000
     4  C    3.854238   2.514012   1.523642   0.000000
     5  O    4.287248   3.002236   2.388404   1.353067   0.000000
     6  C    2.522769   1.529032   2.551702   3.070470   3.778563
     7  N    3.022161   2.487938   1.452836   2.478504   3.651252
     8  O    4.765646   3.396389   2.428796   1.204055   2.242319
     9  H    2.662147   2.143023   1.092479   2.117262   2.518092
    10  H    2.141328   1.093148   2.136183   2.627078   2.590819
    11  H    5.195884   3.831624   3.219479   1.883348   0.970304
    12  H    3.801927   3.353664   2.039634   2.805016   3.919035
    13  H    3.627874   2.862488   2.033074   2.568228   3.887846
    14  H    2.767706   2.172085   2.846959   3.554191   4.514941
    15  H    3.485658   2.188596   2.793553   2.732027   3.429879
    16  H    2.771754   2.163330   3.497200   4.013147   4.502313
    17  H    1.092245   2.175164   2.775617   4.107176   4.324188
    18  H    1.090066   2.164146   2.766984   4.217899   4.913052
    19  H    1.091637   2.165745   3.481350   4.662128   4.976360
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.984750   0.000000
     8  O    3.492925   2.826124   0.000000
     9  H    3.467180   2.076471   3.158423   0.000000
    10  H    2.142132   3.391692   3.637506   2.450364   0.000000
    11  H    4.368142   4.345491   2.286876   3.432645   3.395053
    12  H    3.973455   1.012461   3.045732   2.279906   4.144841
    13  H    2.840932   1.014109   2.500505   2.905252   3.764304
    14  H    1.091672   2.714067   3.781337   3.800668   3.058058
    15  H    1.091761   3.300080   2.884517   3.794648   2.513009
    16  H    1.091022   4.001153   4.479978   4.287137   2.468509
    17  H    3.477905   3.413531   5.154484   2.457910   2.467777
    18  H    2.807616   2.697049   4.963634   2.992678   3.052072
    19  H    2.739787   4.008045   5.546437   3.675971   2.502647
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.553830   0.000000
    13  H    4.418115   1.619592   0.000000
    14  H    5.104957   3.707755   2.412007   0.000000
    15  H    3.802951   4.194298   2.928712   1.768074   0.000000
    16  H    5.068584   5.000395   3.897903   1.760332   1.763634
    17  H    5.284069   3.974103   4.211586   3.791564   4.333569
    18  H    5.802383   3.445484   3.282367   2.610528   3.804032
    19  H    5.839509   4.847334   4.483011   3.059603   3.757742
                   16         17         18         19
    16  H    0.000000
    17  H    3.754244   0.000000
    18  H    3.180050   1.766658   0.000000
    19  H    2.539418   1.765972   1.770949   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.40D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.402321   -0.324803   -0.691175
      2          6           0        1.066507   -0.567672    0.007328
      3          6           0       -0.024429    0.362752   -0.585977
      4          6           0       -1.397283   -0.077948   -0.093492
      5          8           0       -1.783162   -1.252166   -0.644037
      6          6           0        1.193771   -0.401333    1.521948
      7          7           0        0.250162    1.761590   -0.305646
      8          8           0       -2.076243    0.515013    0.704731
      9          1           0       -0.013738    0.217520   -1.668707
     10          1           0        0.746938   -1.591919   -0.201878
     11          1           0       -2.645686   -1.478069   -0.261271
     12          1           0       -0.282255    2.356926   -0.927888
     13          1           0       -0.057810    1.989245    0.633366
     14          1           0        1.549661    0.599343    1.774413
     15          1           0        0.244241   -0.564166    2.035583
     16          1           0        1.915182   -1.116450    1.920072
     17          1           0        2.328990   -0.520041   -1.763324
     18          1           0        2.720648    0.708970   -0.556172
     19          1           0        3.172613   -0.981246   -0.282025
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9389248           1.4333902           1.3298945
 Leave Link  202 at Thu Aug 12 21:41:50 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.8503088607 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:41:51 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  4.20D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:41:51 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:41:51 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer01_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:41:51 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.870702639640    
 DIIS: error= 4.36D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.870702639640     IErMin= 1 ErrMin= 4.36D-03
 ErrMax= 4.36D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-02 BMatP= 1.74D-02
 IDIUse=3 WtCom= 9.56D-01 WtEn= 4.36D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 GapD=    0.448 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.82D-03 MaxDP=1.61D-01              OVMax= 2.16D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.82D-03    CP:  1.01D+00
 E= -401.888015809719     Delta-E=       -0.017313170079 Rises=F Damp=F
 DIIS: error= 1.23D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.888015809719     IErMin= 2 ErrMin= 1.23D-03
 ErrMax= 1.23D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.50D-04 BMatP= 1.74D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.23D-02
 Coeff-Com: -0.653D-03 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.645D-03 0.100D+01
 Gap=     0.400 Goal=   None    Shift=    0.000
 RMSDP=1.08D-03 MaxDP=4.53D-02 DE=-1.73D-02 OVMax= 9.14D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.54D-04    CP:  1.01D+00  1.16D+00
 E= -401.888745708217     Delta-E=       -0.000729898499 Rises=F Damp=F
 DIIS: error= 1.01D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.888745708217     IErMin= 3 ErrMin= 1.01D-03
 ErrMax= 1.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.17D-04 BMatP= 9.50D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.01D-02
 Coeff-Com: -0.628D-01 0.480D+00 0.582D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.622D-01 0.476D+00 0.587D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=2.01D-04 MaxDP=7.53D-03 DE=-7.30D-04 OVMax= 4.16D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.56D-04    CP:  1.01D+00  1.19D+00  9.91D-01
 E= -401.889223682401     Delta-E=       -0.000477974184 Rises=F Damp=F
 DIIS: error= 1.70D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.889223682401     IErMin= 4 ErrMin= 1.70D-04
 ErrMax= 1.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.16D-05 BMatP= 7.17D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.70D-03
 Coeff-Com: -0.168D-01 0.558D-01 0.149D+00 0.812D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.168D-01 0.557D-01 0.149D+00 0.812D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=7.45D-05 MaxDP=2.68D-03 DE=-4.78D-04 OVMax= 1.54D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.42D-05    CP:  1.01D+00  1.19D+00  1.03D+00  1.17D+00
 E= -401.889244823166     Delta-E=       -0.000021140764 Rises=F Damp=F
 DIIS: error= 8.53D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.889244823166     IErMin= 5 ErrMin= 8.53D-05
 ErrMax= 8.53D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.09D-06 BMatP= 2.16D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.228D-02-0.462D-01-0.308D-01 0.352D+00 0.723D+00
 Coeff:      0.228D-02-0.462D-01-0.308D-01 0.352D+00 0.723D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=2.88D-05 MaxDP=7.80D-04 DE=-2.11D-05 OVMax= 7.70D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.16D-05    CP:  1.01D+00  1.19D+00  1.06D+00  1.22D+00  1.08D+00
 E= -401.889250451225     Delta-E=       -0.000005628059 Rises=F Damp=F
 DIIS: error= 3.05D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.889250451225     IErMin= 6 ErrMin= 3.05D-05
 ErrMax= 3.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.60D-07 BMatP= 6.09D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.290D-02-0.284D-01-0.315D-01 0.872D-01 0.346D+00 0.624D+00
 Coeff:      0.290D-02-0.284D-01-0.315D-01 0.872D-01 0.346D+00 0.624D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=9.29D-06 MaxDP=2.85D-04 DE=-5.63D-06 OVMax= 2.99D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.22D-06    CP:  1.01D+00  1.19D+00  1.06D+00  1.23D+00  1.11D+00
                    CP:  1.16D+00
 E= -401.889251224427     Delta-E=       -0.000000773202 Rises=F Damp=F
 DIIS: error= 9.22D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.889251224427     IErMin= 7 ErrMin= 9.22D-06
 ErrMax= 9.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-08 BMatP= 8.60D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-03 0.142D-02-0.100D-02-0.357D-01-0.415D-01 0.103D+00
 Coeff-Com:  0.973D+00
 Coeff:      0.182D-03 0.142D-02-0.100D-02-0.357D-01-0.415D-01 0.103D+00
 Coeff:      0.973D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=5.83D-06 MaxDP=3.05D-04 DE=-7.73D-07 OVMax= 2.02D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.17D-06    CP:  1.01D+00  1.19D+00  1.06D+00  1.23D+00  1.15D+00
                    CP:  1.33D+00  1.30D+00
 E= -401.889251314186     Delta-E=       -0.000000089759 Rises=F Damp=F
 DIIS: error= 2.31D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.889251314186     IErMin= 8 ErrMin= 2.31D-06
 ErrMax= 2.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.85D-09 BMatP= 3.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.215D-03 0.281D-02 0.275D-02-0.152D-01-0.375D-01-0.438D-01
 Coeff-Com:  0.166D+00 0.925D+00
 Coeff:     -0.215D-03 0.281D-02 0.275D-02-0.152D-01-0.375D-01-0.438D-01
 Coeff:      0.166D+00 0.925D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=2.31D-06 MaxDP=1.08D-04 DE=-8.98D-08 OVMax= 7.02D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.14D-06    CP:  1.01D+00  1.19D+00  1.06D+00  1.23D+00  1.16D+00
                    CP:  1.39D+00  1.45D+00  1.23D+00
 E= -401.889251323005     Delta-E=       -0.000000008819 Rises=F Damp=F
 DIIS: error= 8.69D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.889251323005     IErMin= 9 ErrMin= 8.69D-07
 ErrMax= 8.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.99D-10 BMatP= 3.85D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.768D-04 0.698D-03 0.911D-03-0.151D-02-0.685D-02-0.238D-01
 Coeff-Com: -0.463D-01 0.284D+00 0.792D+00
 Coeff:     -0.768D-04 0.698D-03 0.911D-03-0.151D-02-0.685D-02-0.238D-01
 Coeff:     -0.463D-01 0.284D+00 0.792D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=7.51D-07 MaxDP=7.80D-05 DE=-8.82D-09 OVMax= 2.14D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.73D-07    CP:  1.01D+00  1.19D+00  1.06D+00  1.23D+00  1.16D+00
                    CP:  1.40D+00  1.50D+00  1.35D+00  1.17D+00
 E= -401.889251324010     Delta-E=       -0.000000001005 Rises=F Damp=F
 DIIS: error= 2.87D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.889251324010     IErMin=10 ErrMin= 2.87D-07
 ErrMax= 2.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.95D-11 BMatP= 5.99D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.522D-05-0.175D-03-0.111D-03 0.159D-02 0.343D-02-0.201D-04
 Coeff-Com: -0.315D-01-0.570D-01 0.173D+00 0.911D+00
 Coeff:      0.522D-05-0.175D-03-0.111D-03 0.159D-02 0.343D-02-0.201D-04
 Coeff:     -0.315D-01-0.570D-01 0.173D+00 0.911D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=2.96D-07 MaxDP=1.44D-05 DE=-1.01D-09 OVMax= 7.71D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.32D-07    CP:  1.01D+00  1.19D+00  1.06D+00  1.23D+00  1.16D+00
                    CP:  1.41D+00  1.52D+00  1.39D+00  1.33D+00  1.15D+00
 E= -401.889251324118     Delta-E=       -0.000000000107 Rises=F Damp=F
 DIIS: error= 7.34D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.889251324118     IErMin=11 ErrMin= 7.34D-08
 ErrMax= 7.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.29D-12 BMatP= 5.95D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.103D-04-0.123D-03-0.132D-03 0.567D-03 0.164D-02 0.243D-02
 Coeff-Com: -0.300D-02-0.449D-01-0.372D-01 0.229D+00 0.852D+00
 Coeff:      0.103D-04-0.123D-03-0.132D-03 0.567D-03 0.164D-02 0.243D-02
 Coeff:     -0.300D-02-0.449D-01-0.372D-01 0.229D+00 0.852D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=9.45D-08 MaxDP=7.01D-06 DE=-1.07D-10 OVMax= 2.11D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.03D-08    CP:  1.01D+00  1.19D+00  1.06D+00  1.23D+00  1.16D+00
                    CP:  1.41D+00  1.52D+00  1.40D+00  1.38D+00  1.26D+00
                    CP:  1.13D+00
 E= -401.889251324139     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 2.17D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.889251324139     IErMin=12 ErrMin= 2.17D-08
 ErrMax= 2.17D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.31D-13 BMatP= 6.29D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.121D-05-0.424D-05-0.112D-04-0.548D-04-0.659D-04 0.416D-03
 Coeff-Com:  0.271D-02-0.235D-02-0.252D-01-0.538D-01 0.175D+00 0.904D+00
 Coeff:      0.121D-05-0.424D-05-0.112D-04-0.548D-04-0.659D-04 0.416D-03
 Coeff:      0.271D-02-0.235D-02-0.252D-01-0.538D-01 0.175D+00 0.904D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=2.76D-08 MaxDP=1.54D-06 DE=-2.10D-11 OVMax= 6.23D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.06D-08    CP:  1.01D+00  1.19D+00  1.06D+00  1.23D+00  1.16D+00
                    CP:  1.41D+00  1.52D+00  1.40D+00  1.40D+00  1.27D+00
                    CP:  1.24D+00  1.13D+00
 E= -401.889251324165     Delta-E=       -0.000000000026 Rises=F Damp=F
 DIIS: error= 9.90D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -401.889251324165     IErMin=13 ErrMin= 9.90D-09
 ErrMax= 9.90D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.42D-14 BMatP= 6.31D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.900D-06 0.125D-04 0.126D-04-0.692D-04-0.194D-03-0.184D-03
 Coeff-Com:  0.756D-03 0.452D-02 0.510D-04-0.332D-01-0.669D-01 0.146D+00
 Coeff-Com:  0.949D+00
 Coeff:     -0.900D-06 0.125D-04 0.126D-04-0.692D-04-0.194D-03-0.184D-03
 Coeff:      0.756D-03 0.452D-02 0.510D-04-0.332D-01-0.669D-01 0.146D+00
 Coeff:      0.949D+00
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=7.79D-09 MaxDP=4.09D-07 DE=-2.60D-11 OVMax= 3.19D-07

 SCF Done:  E(RM11) =  -401.889251324     A.U. after   13 cycles
            NFock= 13  Conv=0.78D-08     -V/T= 2.0115
 KE= 3.973353067749D+02 PE=-1.751828386174D+03 EE= 5.447535192147D+02
 Leave Link  502 at Thu Aug 12 21:43:14 2021, MaxMem=  5368709120 cpu:             654.8 elap:              82.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.36430271D+02

 Leave Link  801 at Thu Aug 12 21:43:14 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 1.92D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.19D-01 4.08D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 1.64D-02 3.18D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.28D-03 8.36D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 5.63D-05 1.47D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 2.07D-06 2.49D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 6.81D-08 4.61D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 1.72D-09 7.47D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 3.94D-11 8.45D-07.
     10 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 7.38D-13 8.67D-08.
      4 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 1.28D-14 1.41D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.863323D+02
      2 -0.218150D+00  0.760961D+02
      3 -0.260076D+01  0.185010D+01  0.736975D+02
 Isotropic polarizability for W=    0.088559       78.71 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.698759D+02 -0.238515D+02  0.522955D+01
      2  -0.388229D+02  0.226857D+02 -0.115406D+02
      3  -0.310530D+02  0.116588D+01  0.631110D+01
      4  -0.234921D+02  0.398987D+02 -0.165872D+02
      5   0.123702D+02 -0.187811D+02  0.646747D+02
      6  -0.477983D+01  0.157833D+00 -0.620312D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.177675D+01  0.101010D+01 -0.148560D+00
      2   0.543960D+01 -0.616331D+01  0.330715D+02
      3   0.646214D+01 -0.256405D+02  0.701569D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.219396D+01  0.116985D+02  0.736900D+01
      2  -0.714070D+01 -0.118073D+02  0.957276D+02
      3   0.359413D+00 -0.787216D+02  0.140013D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.122299D+00 -0.104270D+01 -0.612343D+00
      2  -0.104270D+01 -0.332360D+00  0.267992D+00
      3  -0.612343D+00  0.267992D+00 -0.469705D+00
 OR G Eigenvalues:    -1.3409    -0.6662     1.0827  Iso=     0.3081
 Eigenvectors:
   (1)   0.702429   0.648016   0.294394
   (2)   0.072552  -0.476653   0.876093
   (3)   0.708046  -0.594034  -0.381830
 w=    0.088559 a.u., Optical Rotation Beta=      0.3081 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      133.37 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 8.49D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.08D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 4.30D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 3.98D-02 2.56D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 1.46D-03 7.30D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 2.18D-05 7.15D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 3.20D-07 7.75D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 3.51D-09 6.73D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 3.61D-11 5.33D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 2.92D-13 6.18D-08.
      4 vectors produced by pass  8 Test12= 1.97D-14 2.78D-09 XBig12= 2.23D-15 4.95D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   244 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.14D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.14D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.06D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.863323D+02 -0.218150D+00 -0.260076D+01
      2  -0.218150D+00  0.760961D+02  0.185010D+01
      3  -0.260076D+01  0.185010D+01  0.736975D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.177675D+01  0.101010D+01 -0.148560D+00
      2   0.543960D+01 -0.616331D+01  0.330715D+02
      3   0.646214D+01 -0.256405D+02  0.701569D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.698759D+02 -0.238515D+02  0.522955D+01
      2  -0.388229D+02  0.226857D+02 -0.115406D+02
      3  -0.310530D+02  0.116588D+01  0.631110D+01
      4  -0.234921D+02  0.398987D+02 -0.165872D+02
      5   0.123702D+02 -0.187811D+02  0.646747D+02
      6  -0.477983D+01  0.157833D+00 -0.620312D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.102143D+00  0.223633D+01 -0.366091D+01  0.354785D+01 -0.401962D+01
      2   0.223633D+01 -0.335432D+01  0.682589D+00 -0.401962D+01 -0.319583D+01
      3  -0.366091D+01  0.682589D+00  0.118200D+01  0.506118D+00 -0.118673D+01
                 6             7             8             9            10 
      1   0.506118D+00 -0.489732D+01  0.949802D+00  0.813651D-01  0.187504D+01
      2  -0.118673D+01  0.949802D+00 -0.132213D+01  0.154327D+01 -0.207309D+01
      3   0.176632D+01  0.813651D-01  0.154327D+01  0.693155D+01  0.394041D+01
                11            12            13            14            15 
      1  -0.207309D+01  0.394041D+01 -0.538372D+01  0.420882D+01 -0.104455D+00
      2   0.407804D+01 -0.204973D+00  0.420882D+01  0.465269D+01  0.219735D+01
      3  -0.204973D+00 -0.872070D+00 -0.104455D+00  0.219735D+01 -0.688626D+00
                16            17            18            19            20 
      1   0.618229D+01 -0.519317D+00 -0.482313D+00 -0.259904D+01  0.532515D+01
      2  -0.519317D+00  0.245205D+01 -0.263298D+00  0.532515D+01 -0.914523D+00
      3  -0.482313D+00 -0.263298D+00 -0.532211D+01 -0.149254D+01  0.164616D+00
                21            22            23            24            25 
      1  -0.149254D+01  0.583922D+01 -0.124599D+01  0.397764D+00 -0.361749D+01
      2   0.164616D+00 -0.124599D+01 -0.927832D+00 -0.925261D+00 -0.564847D-01
      3  -0.271214D+00  0.397764D+00 -0.925261D+00  0.160208D+01 -0.616079D+00
                26            27            28            29            30 
      1  -0.564847D-01 -0.616079D+00  0.615464D+00 -0.364676D+01 -0.589942D+00
      2  -0.165433D+01  0.124025D+01 -0.364676D+01  0.830223D+00  0.140169D+01
      3   0.124025D+01  0.621856D+01 -0.589942D+00  0.140169D+01  0.811655D+00
                31            32            33            34            35 
      1  -0.317244D+01 -0.214388D+00  0.153202D+01 -0.345645D+01  0.173965D+01
      2  -0.214388D+00 -0.875035D+00  0.400215D+00  0.173965D+01 -0.100420D+00
      3   0.153202D+01  0.400215D+00 -0.135325D+01  0.118797D+01 -0.119259D+01
                36            37            38            39            40 
      1   0.118797D+01  0.492195D+01  0.156715D+01 -0.160567D+01  0.296572D+00
      2  -0.119259D+01  0.156715D+01  0.153399D+01 -0.649914D+00  0.219741D+00
      3  -0.261625D+01 -0.160567D+01 -0.649914D+00  0.382319D+00 -0.963582D+00
                41            42            43            44            45 
      1   0.219741D+00 -0.963582D+00 -0.290628D+01 -0.163794D+01 -0.748993D+00
      2  -0.386510D+01 -0.152226D+01 -0.163794D+01 -0.221086D+01 -0.152100D+01
      3  -0.152226D+01 -0.778666D+00 -0.748993D+00 -0.152100D+01 -0.240076D+01
                46            47            48            49            50 
      1   0.111488D+01  0.248494D+01 -0.461395D+01  0.272123D+01 -0.377054D+01
      2   0.248494D+01 -0.350761D+01  0.527186D+00 -0.377054D+01 -0.251831D+01
      3  -0.461395D+01  0.527186D+00  0.734286D+00  0.586407D+00 -0.315399D+01
                51            52            53            54            55 
      1   0.586407D+00 -0.386600D+01  0.255121D+00  0.827301D+00  0.185200D+01
      2  -0.315399D+01  0.255121D+00 -0.249167D+01  0.581984D+00 -0.112065D+01
      3   0.142122D+01  0.827301D+00  0.581984D+00  0.340215D+01  0.874001D+00
                56            57            58            59            60 
      1  -0.112065D+01  0.874001D+00 -0.958838D+00  0.267729D+01 -0.801073D+00
      2   0.418734D+01 -0.809176D+00  0.267729D+01  0.168891D+01  0.904183D+00
      3  -0.809176D+00  0.252866D+01 -0.801073D+00  0.904183D+00 -0.179578D+01
                61            62            63            64            65 
      1   0.119714D+01 -0.121548D+01  0.250844D+01 -0.692538D+01  0.249430D+01
      2  -0.121548D+01  0.105539D+01 -0.165360D+01  0.249430D+01 -0.246457D+01
      3   0.250844D+01 -0.165360D+01 -0.229909D+01  0.278332D+01 -0.117712D+01
                66            67            68            69            70 
      1   0.278332D+01  0.362154D+01 -0.222833D+01 -0.924073D+00  0.541909D+01
      2  -0.117712D+01 -0.222833D+01  0.433921D+01  0.177598D+01 -0.966148D+00
      3  -0.203198D+01 -0.924073D+00  0.177598D+01  0.179432D+01 -0.275993D+01
                71            72            73            74            75 
      1  -0.966148D+00 -0.275993D+01  0.509082D+00 -0.757410D+00 -0.110829D+01
      2   0.237892D+01  0.208648D+01 -0.757410D+00  0.258908D+00 -0.395810D-01
      3   0.208648D+01  0.555928D+01 -0.110829D+01 -0.395810D-01  0.690274D-01
                76            77            78            79            80 
      1  -0.136915D+01  0.288914D+00  0.413114D-02 -0.131314D+01  0.634869D-02
      2   0.288914D+00  0.647287D-01 -0.114251D+01  0.634869D-02 -0.121333D+01
      3   0.413114D-02 -0.114251D+01 -0.618084D+00  0.582255D-02 -0.295228D+00
                81            82            83            84            85 
      1   0.582255D-02 -0.151077D+01 -0.118802D+01 -0.889081D+00 -0.118023D+01
      2  -0.295228D+00 -0.118802D+01 -0.147017D+01 -0.267684D-01 -0.140692D+01
      3  -0.854945D+01 -0.889081D+00 -0.267684D-01 -0.271832D+00 -0.472798D-01
                86            87            88            89            90 
      1  -0.140692D+01 -0.472798D-01 -0.116307D+01 -0.833080D-01 -0.166343D+00
      2  -0.761552D+01 -0.118116D+01 -0.833080D-01 -0.114062D+01 -0.135285D+01
      3  -0.118116D+01 -0.140750D+01 -0.166343D+00 -0.135285D+01 -0.146075D+00
                91            92            93            94            95 
      1  -0.718351D+01 -0.368967D+01  0.360234D+00 -0.201885D+01 -0.177446D+01
      2  -0.368967D+01 -0.309527D+01  0.923407D-01 -0.177446D+01 -0.227175D+01
      3   0.360234D+00  0.923407D-01 -0.103233D+01  0.165772D+00  0.300928D-01
                96            97            98            99           100 
      1   0.165772D+00  0.230679D+01  0.130435D+01 -0.968291D+00 -0.107225D+01
      2   0.300928D-01  0.130435D+01  0.105309D+01 -0.589951D+00  0.183400D+01
      3  -0.530612D+00 -0.968291D+00 -0.589951D+00  0.328169D+00 -0.106133D+01
               101           102           103           104           105 
      1   0.183400D+01 -0.106133D+01  0.160695D+01 -0.211409D+01  0.982746D+00
      2  -0.271788D+01  0.130156D+01 -0.211409D+01  0.488654D+01 -0.198787D+01
      3   0.130156D+01 -0.119667D+01  0.982746D+00 -0.198787D+01  0.165322D+01
               106           107           108           109           110 
      1  -0.164760D+01  0.142015D+01 -0.136518D+01 -0.109022D+00  0.543889D+00
      2   0.142015D+01 -0.312504D+01  0.224516D+01  0.543889D+00 -0.707601D+00
      3  -0.136518D+01  0.224516D+01 -0.233976D+01  0.327868D+00 -0.530535D+00
               111           112           113           114           115 
      1   0.327868D+00  0.554693D+00 -0.340870D+00 -0.469603D+00  0.124102D+01
      2  -0.530535D+00 -0.340870D+00  0.149119D+01  0.108242D+01 -0.399708D+00
      3  -0.884692D+00 -0.469603D+00  0.108242D+01  0.113218D+01 -0.724368D+00
               116           117           118           119           120 
      1  -0.399708D+00 -0.724368D+00  0.124308D+01  0.104394D+01  0.114612D+01
      2   0.241272D+01  0.153846D+01  0.104394D+01  0.156202D+01  0.597498D+00
      3   0.153846D+01  0.435030D+01  0.114612D+01  0.597498D+00  0.872595D+00
               121           122           123           124           125 
      1   0.155441D+01  0.155331D+01  0.859901D+00  0.782299D+00  0.475427D+00
      2   0.155331D+01  0.530312D+01  0.185924D+01  0.475427D+00  0.127666D+01
      3   0.859901D+00  0.185924D+01  0.263534D+01  0.432957D+00  0.139114D+01
               126           127           128           129           130 
      1   0.432957D+00 -0.527617D+01 -0.789620D+00  0.240200D+01 -0.794078D+00
      2   0.139114D+01 -0.789620D+00 -0.808372D+00  0.586049D+00 -0.513882D+00
      3   0.115845D+01  0.240200D+01  0.586049D+00 -0.341892D+01  0.362765D+00
               131           132           133           134           135 
      1  -0.513882D+00  0.362765D+00  0.190909D+01  0.362879D+00 -0.222652D+01
      2  -0.412897D+00  0.113695D+01  0.362879D+00  0.837934D+00 -0.596575D+00
      3   0.113695D+01 -0.843596D+00 -0.222652D+01 -0.596575D+00  0.312146D+01
               136           137           138           139           140 
      1   0.390275D+01 -0.239512D+01  0.260446D+01 -0.267055D+01  0.255433D+01
      2  -0.239512D+01  0.235641D+01 -0.132756D+01  0.255433D+01 -0.326617D+01
      3   0.260446D+01 -0.132756D+01  0.231378D+01 -0.147852D+01  0.229752D+01
               141           142           143           144           145 
      1  -0.147852D+01  0.161828D+01 -0.947295D+00  0.164775D+01  0.569521D-01
      2   0.229752D+01 -0.947295D+00  0.150388D+01 -0.167430D+01 -0.370072D+00
      3  -0.254906D+01  0.164775D+01 -0.167430D+01  0.230723D+01 -0.838043D+00
               146           147           148           149           150 
      1  -0.370072D+00 -0.838043D+00 -0.758214D+00  0.703216D+00  0.184873D+00
      2   0.206380D+00 -0.150043D-02  0.703216D+00 -0.376717D+00 -0.123587D+01
      3  -0.150043D-02 -0.166740D+00  0.184873D+00 -0.123587D+01 -0.137210D+01
               151           152           153           154           155 
      1  -0.165317D+01  0.207485D+00  0.166797D+01  0.182273D+01  0.146208D+01
      2   0.207485D+00 -0.123386D+01 -0.120250D+01  0.146208D+01  0.172458D+01
      3   0.166797D+01 -0.120250D+01 -0.960530D+01  0.309358D+00 -0.137708D+00
               156           157           158           159           160 
      1   0.309358D+00  0.285425D+01  0.228281D+01 -0.446304D+00  0.920748D+00
      2  -0.137708D+00  0.228281D+01  0.562367D+01  0.704483D-02  0.388672D-01
      3   0.263574D+00 -0.446304D+00  0.704483D-02  0.118019D+01  0.518970D+00
               161           162           163           164           165 
      1   0.388672D-01  0.518970D+00  0.666008D+01 -0.296138D+01  0.111199D+01
      2   0.490330D+00  0.688206D+00 -0.296138D+01  0.230242D+01 -0.448676D+00
      3   0.688206D+00 -0.537113D+00  0.111199D+01 -0.448676D+00  0.988540D+00
               166           167           168           169           170 
      1  -0.429066D+01  0.314065D+01 -0.347612D+00  0.294377D+01 -0.934407D+00
      2   0.314065D+01 -0.272491D+01  0.644655D+00 -0.934407D+00  0.103128D+01
      3  -0.347612D+00  0.644655D+00 -0.124760D+01  0.117948D+01 -0.973053D+00
               171 
      1   0.117948D+01
      2  -0.973053D+00
      3   0.438761D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.364056D+01  0.313146D+01 -0.112230D+00  0.420444D+01  0.233000D+01
      2  -0.100442D+02  0.391163D+01  0.141254D+01  0.469900D+01 -0.667593D+01
      3  -0.594841D+01  0.627734D+01 -0.224592D+00  0.143854D+02  0.112835D+02
                 6             7             8             9            10 
      1  -0.963873D+00  0.416728D+00  0.312703D+01  0.158814D+00  0.387063D+01
      2   0.522079D+01 -0.856166D+01  0.525802D+01  0.205183D+02  0.754986D+01
      3   0.163579D+01 -0.149347D+01  0.317540D+01 -0.472032D+01  0.156855D+01
                11            12            13            14            15 
      1  -0.602258D+00 -0.274915D+00 -0.659889D+00  0.291964D+01 -0.498523D+01
      2  -0.154849D+01  0.367154D+01 -0.469710D+01  0.295327D+01 -0.114211D+01
      3  -0.569818D+01 -0.139400D+01  0.707593D+00 -0.109562D+02 -0.253499D+01
                16            17            18            19            20 
      1  -0.149432D+01  0.217171D+01 -0.268228D+01 -0.480736D+01  0.125641D+00
      2  -0.307548D+01 -0.724853D-01 -0.528709D+01 -0.146365D+01  0.192965D+01
      3  -0.648833D-01 -0.225012D+01  0.107532D+01  0.449433D+01 -0.421157D+01
                21            22            23            24            25 
      1  -0.125101D+01  0.503997D+00  0.205416D+01  0.364109D+00 -0.103430D+01
      2   0.218941D+01  0.516839D+01 -0.178986D+01  0.149035D+01 -0.828718D+01
      3   0.145433D+01  0.268095D+01  0.830290D+00  0.903785D+00 -0.171288D+01
                26            27            28            29            30 
      1   0.484555D+01 -0.282632D+01  0.293893D+01  0.336745D+01  0.977154D+00
      2  -0.148583D+00 -0.202035D+01 -0.751172D+01 -0.206887D+01 -0.540781D+01
      3   0.704367D+00 -0.465613D-01 -0.775272D+01  0.251384D+01 -0.188219D+01
                31            32            33            34            35 
      1   0.839943D+00 -0.731805D+01  0.453704D+00  0.146979D+01  0.357015D+01
      2   0.327400D+01  0.275514D+01  0.436651D+00 -0.124214D+02 -0.673703D+00
      3   0.437376D+01  0.204959D+01 -0.319460D+01 -0.706762D+01 -0.825439D+01
                36            37            38            39            40 
      1   0.639623D+01 -0.309669D+01 -0.909415D+00 -0.480837D+00 -0.578952D-01
      2   0.870625D+01  0.599481D+01  0.306719D+01  0.981274D+00 -0.264731D+01
      3  -0.195044D+01 -0.185510D+01 -0.109890D+01  0.732686D+00  0.525217D+01
                41            42            43            44            45 
      1   0.210210D+01 -0.495235D+01  0.208171D+01  0.308274D+01 -0.286287D+01
      2   0.230217D+01  0.188760D+01 -0.402442D+01  0.225293D+01  0.478953D+01
      3  -0.804915D+01 -0.185855D+01  0.272387D+01 -0.904014D+00 -0.287416D+01
                46            47            48            49            50 
      1   0.215120D+01 -0.651950D+01  0.159067D+01 -0.708588D+01 -0.645404D+01
      2  -0.100867D+02 -0.413552D+01  0.142475D+02 -0.284602D+01  0.251595D+01
      3  -0.405912D+01  0.152034D+01  0.104955D+01  0.609168D+01  0.538175D+01
                51            52            53            54            55 
      1  -0.955450D+01  0.110722D+01 -0.278325D+01  0.426231D+01 -0.794586D+00
      2   0.530486D+00  0.686303D+01  0.380908D+00  0.207112D+01  0.144013D+01
      3   0.405864D+01  0.127881D+01  0.306990D+01 -0.111521D+01  0.469650D+01
                56            57            58            59            60 
      1   0.873072D+00 -0.675891D+01  0.615439D+00 -0.469127D+01 -0.762003D+00
      2  -0.546238D-01  0.483327D+01 -0.654914D+00  0.148912D+01 -0.639371D+00
      3  -0.896776D+01  0.177828D+01  0.280625D+01  0.649639D+01 -0.206387D+01
                61            62            63            64            65 
      1  -0.556610D+01  0.866225D+01  0.553743D+01 -0.100923D+01 -0.295358D+01
      2  -0.202628D+00 -0.329611D+00  0.116800D+00 -0.131952D+01  0.234458D+01
      3   0.140270D+01 -0.278258D+01  0.726028D+01  0.208972D+01 -0.926271D+01
                66            67            68            69            70 
      1   0.185403D+01  0.467167D+00  0.249516D+01 -0.349041D+01 -0.616776D+00
      2   0.977725D+01  0.969889D+00 -0.529381D+01 -0.358421D+01  0.237226D+01
      3  -0.604459D+00  0.420976D+00  0.756145D+01  0.410175D+01  0.463330D+01
                71            72            73            74            75 
      1   0.427537D+01 -0.241110D+01  0.107224D+01 -0.200129D+00  0.235102D+00
      2  -0.321322D+01 -0.128913D+02  0.872070D+00 -0.531268D+00 -0.346916D+00
      3   0.761267D+01  0.364731D+01  0.270501D+00 -0.577675D+00 -0.603468D+00
                76            77            78            79            80 
      1  -0.257919D+00  0.144275D+00  0.326550D+00  0.175891D-01  0.359507D+01
      2  -0.137122D+01  0.272356D+00 -0.633823D-01 -0.340693D+01  0.170164D+00
      3   0.136524D+01 -0.215831D-01 -0.405536D+00  0.320858D+00 -0.199301D+00
                81            82            83            84            85 
      1   0.239714D+01 -0.124824D+01 -0.364387D-01 -0.587326D+00 -0.159999D+00
      2   0.822749D+00 -0.126172D+01 -0.155245D+00  0.270133D+00 -0.217550D+00
      3  -0.242325D+00  0.406324D+01  0.197513D+01  0.958385D+00  0.601335D+01
                86            87            88            89            90 
      1  -0.344313D+00 -0.358783D+01 -0.147232D+00  0.374214D-01 -0.172441D+00
      2  -0.103897D+01 -0.106203D+01 -0.174286D+01 -0.142126D+01 -0.619110D-01
      3   0.927896D+01  0.151622D+01  0.153718D+01  0.151196D+01  0.173019D+01
                91            92            93            94            95 
      1   0.331722D+01  0.212483D+01 -0.182938D+01  0.172921D+01  0.164129D+01
      2  -0.492446D+01 -0.299274D+01  0.341877D+01 -0.205839D+01 -0.155831D+01
      3   0.277526D+01 -0.276467D+01 -0.484917D+00  0.430888D+00 -0.171899D+01
                96            97            98            99           100 
      1  -0.894946D+00 -0.175531D+01 -0.734566D+00  0.108919D+01  0.115989D+01
      2   0.138732D+01  0.267690D+01  0.166194D+01 -0.211475D+01 -0.147761D+01
      3   0.944998D-01 -0.374181D+00  0.119012D+01 -0.318200D+00 -0.347696D+01
               101           102           103           104           105 
      1  -0.156941D+01  0.317870D+01 -0.157773D+01  0.195436D+01 -0.373291D+01
      2   0.923508D+00 -0.651158D-01  0.120892D+01 -0.123968D+01  0.339292D+00
      3   0.346926D+01 -0.255491D+01  0.582369D+01 -0.503340D+01  0.292047D+01
               106           107           108           109           110 
      1   0.249546D+01 -0.235389D+01  0.390659D+01 -0.103716D+01  0.127153D+01
      2  -0.207630D+01  0.973396D+00 -0.712388D+00  0.812902D+00  0.198120D+00
      3  -0.450021D+01  0.376215D+01 -0.373722D+01 -0.788293D+00 -0.479781D-02
               111           112           113           114           115 
      1   0.253255D+01  0.137043D+01 -0.302007D+01 -0.328043D+01  0.203933D+01
      2  -0.391732D+00  0.197878D+00  0.100146D+00  0.335098D+00 -0.237743D+01
      3   0.114060D+01  0.153136D+01 -0.113424D+01 -0.137762D+01  0.374386D+01
               116           117           118           119           120 
      1  -0.252366D+01 -0.119488D+02  0.248971D+01  0.324307D+01  0.104916D+01
      2   0.496877D+00  0.796588D+00 -0.304632D+00 -0.100627D+01  0.416057D+00
      3  -0.153528D+01 -0.263947D+01 -0.112296D+01 -0.315030D+01 -0.120678D+01
               121           122           123           124           125 
      1   0.279485D+01  0.131117D+02  0.172864D+01  0.151380D+01  0.389050D+01
      2  -0.258204D+01 -0.208294D+00  0.281018D+01 -0.188592D+01  0.865464D+00
      3  -0.213617D+00 -0.878797D+01 -0.217189D+01 -0.673824D+00 -0.152758D+01
               126           127           128           129           130 
      1   0.291146D+01  0.214195D+00 -0.230232D+01 -0.114993D+01 -0.960258D+00
      2   0.711368D+00  0.166908D+02  0.194850D+01 -0.636722D+01  0.171273D+01
      3  -0.223743D+01  0.408853D+01 -0.400661D+00 -0.138790D+01  0.198669D+01
               131           132           133           134           135 
      1   0.153516D+00  0.700880D+00 -0.582062D+00  0.255035D+01  0.574085D+00
      2   0.219957D+01 -0.146176D+01 -0.823825D+01 -0.148561D+01  0.698687D+01
      3   0.461082D+00 -0.142163D+01 -0.122433D+01 -0.286808D+00  0.173255D+01
               136           137           138           139           140 
      1  -0.287257D+01  0.456105D+01 -0.234850D+00  0.386662D+01 -0.502347D+01
      2  -0.387440D+01  0.249432D+01  0.579775D+00  0.355474D+01 -0.137452D+01
      3   0.415596D+00 -0.342998D+01  0.527941D+00 -0.454206D+00  0.364666D+01
               141           142           143           144           145 
      1   0.809490D+00 -0.120697D+01  0.303775D+01 -0.133116D+01 -0.553265D-01
      2  -0.174045D+01 -0.280663D+01 -0.155740D+00  0.702738D+00 -0.256232D+01
      3  -0.232551D+01 -0.209233D+00 -0.204416D+01  0.139726D+01  0.118413D+01
               146           147           148           149           150 
      1  -0.517112D-01 -0.652843D-01 -0.377881D+00  0.350947D-01 -0.416899D+00
      2  -0.364650D+00 -0.927277D-01 -0.634888D+00 -0.222476D+01 -0.350954D+01
      3  -0.106743D+01  0.378340D+00 -0.533756D+00  0.427739D+00  0.284930D+01
               151           152           153           154           155 
      1   0.305025D+00  0.344110D+01 -0.274411D+01 -0.135640D+01 -0.175529D+01
      2  -0.857449D+00 -0.295407D+01 -0.238556D+02  0.210656D+01  0.957882D+00
      3   0.559086D+00  0.340057D+01  0.270156D+01 -0.457484D+01 -0.599290D+01
               156           157           158           159           160 
      1  -0.446857D+00 -0.177180D+01 -0.496146D+01 -0.192137D+01 -0.174398D+00
      2   0.183630D+01  0.101378D+01  0.246308D+01  0.377037D+01  0.779266D+00
      3   0.377341D+00 -0.422439D+01 -0.185996D+02 -0.238043D+00  0.144617D+00
               161           162           163           164           165 
      1   0.566875D+00 -0.658691D+00  0.270411D+01 -0.179804D+01  0.177417D+01
      2   0.177182D+01 -0.781175D+00  0.806612D+01 -0.398781D+01  0.589417D+01
      3  -0.153981D+01 -0.180078D+01  0.404269D+01 -0.718100D+01  0.101718D+01
               166           167           168           169           170 
      1  -0.218516D+01  0.194148D+01 -0.269711D+01  0.102015D+01 -0.405886D+00
      2  -0.408991D+01  0.435333D+01 -0.500528D+01  0.411223D+01 -0.326646D+01
      3  -0.528325D+01  0.677299D+01 -0.178831D+01  0.976353D+00 -0.310310D+01
               171 
      1   0.133306D+01
      2   0.280235D+01
      3   0.213766D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.216419D+01  0.122127D+02 -0.184218D+02  0.150334D+02 -0.239048D+02
      2  -0.574123D+01 -0.288858D+01  0.871633D+01 -0.542953D+01  0.855029D+01
      3   0.790542D+01 -0.932414D+01  0.970545D+01 -0.960385D+01  0.153545D+02
      4   0.160393D+02 -0.200458D+02  0.602607D+01 -0.270043D+02 -0.134825D+02
      5  -0.200595D+02  0.262778D+01  0.703014D+01  0.187144D+01 -0.361343D+01
      6   0.142384D+01  0.222715D+01 -0.926206D+00  0.289352D+01  0.552545D+01
                 6             7             8             9            10 
      1   0.484772D+01 -0.232997D+02  0.719744D+01  0.148055D+02 -0.864921D+01
      2   0.131580D+01  0.838369D+01  0.348735D+00  0.656053D+01 -0.104277D-01
      3  -0.616351D+01  0.149160D+02 -0.754618D+01 -0.213660D+02  0.865963D+01
      4  -0.586570D+01  0.850575D+01 -0.798783D+01  0.790543D+01 -0.342261D+01
      5   0.720494D+01  0.355845D+01  0.694881D+01  0.284152D+02  0.145390D+02
      6  -0.512483D+00  0.390130D+00 -0.805432D+00 -0.105270D+02 -0.428477D+01
                11            12            13            14            15 
      1  -0.555569D+00  0.125642D+02 -0.127746D+01  0.174599D+02  0.241605D+01
      2  -0.242520D+01 -0.806630D+01 -0.118576D+01 -0.228036D+02 -0.358876D+01
      3   0.298077D+01 -0.449786D+01  0.246321D+01  0.534367D+01  0.117270D+01
      4   0.772934D+01 -0.352871D+01  0.142169D+02  0.452983D+01  0.344343D+01
      5  -0.848790D+00 -0.329175D+01 -0.556654D+00  0.359804D+01 -0.174149D+01
      6  -0.519914D-01  0.109575D+01  0.278408D+00 -0.552196D+01  0.321355D+01
                16            17            18            19            20 
      1   0.160643D+02  0.351434D+00  0.358365D+00 -0.838671D+01 -0.422056D+01
      2  -0.781978D+01 -0.191627D+01  0.177472D+01  0.115044D+02  0.345719D+00
      3  -0.824455D+01  0.156484D+01 -0.213308D+01 -0.311770D+01  0.387484D+01
      4  -0.521701D+01  0.382413D+01 -0.716142D+00 -0.160289D+01 -0.201417D+01
      5  -0.319567D+01 -0.399807D+00 -0.127361D+02 -0.376420D+01 -0.130519D+01
      6  -0.172531D+00 -0.788159D+00  0.250868D+01 -0.286669D+00 -0.816278D+00
                21            22            23            24            25 
      1  -0.774077D+00 -0.340785D+00 -0.245452D+00  0.156257D+01 -0.482724D+01
      2   0.155079D+01 -0.185780D+01 -0.447446D+01  0.443639D+00  0.187774D+01
      3  -0.776712D+00  0.219858D+01  0.471992D+01 -0.200621D+01  0.294950D+01
      4   0.797595D+00 -0.115732D+02 -0.750215D+00 -0.450701D+00  0.294148D+01
      5   0.160053D+01  0.141952D+01  0.674831D+00  0.186579D+01  0.165836D+01
      6  -0.136333D-01 -0.123894D+00  0.304543D+01 -0.282308D+01 -0.472766D+00
                26            27            28            29            30 
      1   0.421538D+01  0.103968D+02 -0.642933D+01  0.102959D+02  0.178185D+00
      2  -0.246956D+01  0.122751D+02  0.978800D+00 -0.594217D+01 -0.438800D+01
      3  -0.174582D+01 -0.226718D+02  0.545053D+01 -0.435377D+01  0.420981D+01
      4  -0.610315D+00 -0.111814D+01  0.107907D+02 -0.842685D+01 -0.687559D+01
      5  -0.330582D+00 -0.884709D+00  0.757464D+01 -0.651528D+01 -0.104952D+02
      6   0.263232D+01  0.132097D+01 -0.331825D+01  0.105723D+01 -0.149739D+01
                31            32            33            34            35 
      1   0.150066D+02  0.370949D+01 -0.394242D+01  0.126119D+02 -0.433168D+01
      2  -0.915299D+01 -0.756139D+01  0.873563D+01 -0.735840D+01 -0.191531D+01
      3  -0.585362D+01  0.385189D+01 -0.479321D+01 -0.525347D+01  0.624699D+01
      4  -0.609994D+01 -0.114962D+01 -0.340024D+00 -0.104290D+02  0.737485D+01
      5  -0.142285D+02  0.435446D+00 -0.119845D+01 -0.773866D+01  0.122346D+01
      6  -0.292176D+01 -0.572000D+01 -0.268016D+01 -0.169707D+01 -0.865313D+00
                36            37            38            39            40 
      1  -0.671788D+01 -0.156505D+02 -0.632718D+01  0.673971D+01 -0.611733D+01
      2   0.422204D+01  0.360070D+01  0.180185D+01 -0.377389D+01  0.325979D+01
      3   0.249584D+01  0.120498D+02  0.452533D+01 -0.296582D+01  0.285754D+01
      4   0.301025D+01 -0.133556D+02 -0.347022D+01  0.595883D+01  0.606284D+01
      5   0.143850D+02  0.659606D+01  0.342056D+01  0.644123D+01  0.694797D+01
      6  -0.511576D+01  0.494341D+01  0.225226D+01  0.114597D+01  0.490395D+01
                41            42            43            44            45 
      1  -0.158854D+02 -0.953265D+00  0.105413D+02  0.158541D+01 -0.455873D+01
      2   0.222202D+02 -0.194382D-02 -0.391951D+01  0.175575D+01 -0.285439D+01
      3  -0.633482D+01  0.955209D+00 -0.662178D+01 -0.334116D+01  0.741312D+01
      4   0.154796D+02  0.659414D+01  0.126188D+02  0.972945D+01  0.525240D+01
      5   0.680242D+01  0.701488D+01  0.990050D+01  0.802347D+01  0.123372D+02
      6   0.841406D+01  0.987912D+01  0.253153D+01  0.101511D+02  0.829848D+01
                46            47            48            49            50 
      1   0.112690D+02  0.503277D+01 -0.121405D+02  0.421250D+01 -0.555886D+01
      2   0.215566D+01 -0.852042D+00  0.262352D+01 -0.107047D+01  0.914418D+01
      3  -0.134247D+02 -0.418072D+01  0.951694D+01 -0.314203D+01 -0.358532D+01
      4   0.509590D+01 -0.136351D+02  0.811213D+01 -0.151454D+02 -0.337038D+01
      5  -0.609338D+01  0.895483D+01 -0.128201D+02  0.796297D+01 -0.196240D+02
      6   0.130523D+02 -0.126410D+02  0.265642D+00 -0.139785D+02 -0.561630D+01
                51            52            53            54            55 
      1   0.346725D+00 -0.112818D+02 -0.104349D+01 -0.582326D+01  0.104567D+02
      2  -0.518060D+00  0.176035D+01  0.138277D+00 -0.642865D+01 -0.726133D+01
      3   0.171335D+00  0.952142D+01  0.905212D+00  0.122519D+02 -0.319541D+01
      4  -0.115476D+02  0.662368D+01 -0.821863D+01  0.187297D+01  0.442743D+01
      5   0.435775D+01 -0.116462D+02  0.196389D+01  0.118201D+02 -0.124997D+01
      6  -0.128868D+02  0.780477D+00 -0.931708D+01  0.224320D+01  0.358534D+01
                56            57            58            59            60 
      1  -0.115923D+02  0.216797D+01 -0.780556D+01 -0.671324D+01 -0.225352D+01
      2   0.182704D+02 -0.262034D+01  0.140049D+02  0.167899D+02  0.393120D+01
      3  -0.667805D+01  0.452372D+00 -0.619933D+01 -0.100767D+02 -0.167769D+01
      4   0.668160D-01  0.227297D+01  0.699326D+01  0.151333D+02 -0.258345D+01
      5   0.173739D+01  0.254780D+01  0.630933D+00 -0.298356D+01  0.115807D+01
      6  -0.676948D+01  0.116736D+02 -0.531420D+01  0.408540D+01 -0.277655D+01
                61            62            63            64            65 
      1   0.349686D+01 -0.106038D+01  0.435822D+01  0.384396D+02 -0.961697D+01
      2  -0.312534D+01  0.390461D+01 -0.100236D+02 -0.205319D+02  0.319692D+01
      3  -0.371518D+00 -0.284423D+01  0.566534D+01 -0.179078D+02  0.642006D+01
      4   0.255234D+01 -0.220453D+01  0.953344D+01 -0.164907D+02  0.194953D+02
      5   0.430450D+01  0.292869D+01 -0.234280D+01 -0.163057D+02  0.693819D+01
      6   0.111534D+02 -0.632278D+01 -0.724337D+01  0.234894D+01 -0.214959D+01
                66            67            68            69            70 
      1  -0.890995D+01 -0.131684D+02  0.238237D+01  0.101806D+01 -0.139875D+02
      2   0.990688D+01  0.516244D+01  0.493172D+01 -0.261312D+01  0.943133D+01
      3  -0.996921D+00  0.800598D+01 -0.731410D+01  0.159506D+01  0.455615D+01
      4   0.705321D+01  0.176648D+02 -0.182157D+02 -0.871614D+01  0.613369D+01
      5   0.190690D+02  0.688819D+01 -0.890567D+01 -0.727327D+01  0.205228D+02
      6  -0.245178D+01 -0.367034D+01  0.313621D+01  0.746327D+01 -0.266578D+01
                71            72            73            74            75 
      1   0.606121D+00  0.305737D+01  0.636236D+00  0.213989D+00  0.154009D-01
      2  -0.487990D+00 -0.143425D+02 -0.454021D+01  0.349860D+00 -0.243855D+00
      3  -0.118131D+00  0.112852D+02  0.390397D+01 -0.563850D+00  0.228454D+00
      4  -0.124965D+02 -0.101962D+02  0.369775D-01  0.126092D+01 -0.564967D+00
      5  -0.878951D+01 -0.268202D+02 -0.328641D-01  0.152559D+00  0.581862D+01
      6   0.705270D+01  0.448769D+01 -0.293142D+00  0.336142D-01  0.250374D-01
                76            77            78            79            80 
      1   0.907583D+00 -0.368656D+01 -0.107008D+01  0.899740D+00  0.438973D+00
      2   0.331619D+00  0.291148D-01 -0.177880D+01 -0.112952D+00 -0.230719D+01
      3  -0.123920D+01  0.365745D+01  0.284888D+01 -0.786788D+00  0.186822D+01
      4   0.227655D+01 -0.520724D-01  0.397064D-01 -0.402156D+00  0.322267D+00
      5   0.145360D+00 -0.267665D+00 -0.193673D-01  0.505710D+01  0.264698D+00
      6   0.162561D+00  0.386316D+00  0.632458D+01  0.142963D+00  0.470361D+01
                81            82            83            84            85 
      1  -0.197257D+02 -0.139738D+01 -0.393303D+01 -0.219650D+01 -0.530314D+01
      2  -0.165149D+02  0.501672D+01  0.521186D+01  0.195237D+01  0.623297D+01
      3   0.362405D+02 -0.361934D+01 -0.127883D+01  0.244126D+00 -0.929836D+00
      4   0.769118D+00  0.766865D+00  0.388696D+01  0.907677D+00  0.276854D+01
      5   0.135073D+01 -0.142843D+01  0.668994D+00  0.109674D+01  0.117436D+01
      6  -0.312551D+01  0.143980D+01  0.107199D+01  0.778734D+00  0.833889D+00
                86            87            88            89            90 
      1  -0.196474D+02 -0.152011D+01 -0.316845D+01 -0.239822D+01 -0.433424D+01
      2   0.326216D+02  0.405167D+01  0.210683D+01  0.329323D+01  0.334066D+01
      3  -0.129742D+02 -0.253155D+01  0.106163D+01 -0.895016D+00  0.993577D+00
      4  -0.914644D+01 -0.164035D+01  0.572047D+00 -0.151767D+01 -0.121684D+01
      5  -0.161326D+01 -0.277998D+01  0.205571D+01 -0.181979D+01  0.569029D+00
      6   0.564211D+01  0.550622D+01  0.149662D+01  0.737931D+01  0.275662D+01
                91            92            93            94            95 
      1   0.341210D+02  0.141298D+02 -0.248460D+01  0.547557D+01  0.451008D+01
      2  -0.119964D+02 -0.258119D+01  0.216828D+00  0.938289D+00  0.233335D+01
      3  -0.221246D+02 -0.115486D+02  0.226777D+01 -0.641386D+01 -0.684343D+01
      4   0.268580D+02  0.183963D+02 -0.126548D+01  0.120013D+02  0.118297D+02
      5   0.182753D+01  0.121669D+01  0.469048D+01  0.414327D+00  0.609839D+00
      6  -0.117963D+01  0.937084D-01  0.238260D+01  0.219050D+00  0.200139D+00
                96            97            98            99           100 
      1  -0.448968D+00 -0.951886D+01 -0.444972D+01  0.310186D+01 -0.232742D+01
      2  -0.364993D+00  0.289937D+01  0.263150D+00 -0.133984D+01  0.543071D+01
      3   0.813961D+00  0.661949D+01  0.418657D+01 -0.176202D+01 -0.310329D+01
      4  -0.622935D+00 -0.910289D+01 -0.659698D+01  0.419092D+01 -0.577407D+01
      5   0.177399D+01  0.515142D+01  0.278735D+01 -0.192053D+01  0.302519D+01
      6   0.171606D+01  0.327063D+01  0.249317D+01 -0.151807D+01 -0.609136D+01
               101           102           103           104           105 
      1   0.792962D+01 -0.361715D+01  0.577279D+01 -0.148769D+02  0.639901D+01
      2  -0.127539D+02  0.430082D+01 -0.931262D+01  0.233160D+02 -0.878134D+01
      3   0.482428D+01 -0.683665D+00  0.353983D+01 -0.843902D+01  0.238233D+01
      4   0.100089D+02 -0.501380D+01  0.804676D+01 -0.944806D+01  0.428003D+01
      5  -0.333621D+01  0.365536D+01 -0.182060D+01  0.302069D+01 -0.166262D+01
      6   0.894937D+01 -0.735293D+01  0.646595D+01 -0.141468D+02  0.101869D+02
               106           107           108           109           110 
      1  -0.430732D+01  0.950439D+01 -0.844277D+01 -0.989545D+00  0.266302D+01
      2   0.449933D+01 -0.106631D+02  0.633584D+01  0.169451D+01 -0.413861D+01
      3  -0.192012D+00  0.115867D+01  0.210693D+01 -0.704963D+00  0.147559D+01
      4  -0.531317D+01  0.554225D+01 -0.540268D+01  0.445637D-01  0.339530D+01
      5   0.321234D+01 -0.275518D+01  0.302025D+01 -0.120753D+01 -0.234740D+00
      6  -0.735419D+01  0.142033D+02 -0.124013D+02  0.111550D+01 -0.208938D+01
               111           112           113           114           115 
      1   0.134164D+01  0.128688D+01 -0.475777D+01 -0.312869D+01  0.700340D+00
      2  -0.201933D+01 -0.186700D+01  0.715690D+01  0.468615D+01 -0.159673D+01
      3   0.677693D+00  0.580113D+00 -0.239913D+01 -0.155746D+01  0.896390D+00
      4   0.865535D+00  0.344339D+01 -0.201401D+01 -0.141176D+01  0.321760D+01
      5   0.150411D+01 -0.196550D+00 -0.147273D+00 -0.410469D+00  0.888332D+00
      6  -0.416179D+01 -0.169509D+01  0.461118D+01  0.741763D+01 -0.376401D+01
               116           117           118           119           120 
      1  -0.698603D+01 -0.679513D+01  0.357802D+01  0.312728D+01  0.184156D+01
      2   0.965197D+01  0.460902D+01 -0.368992D+01 -0.257607D+01 -0.305629D+01
      3  -0.266595D+01  0.218612D+01  0.111899D+00 -0.551209D+00  0.121473D+01
      4  -0.190394D+01 -0.326650D+01  0.498774D+01  0.785273D+01  0.187859D+01
      5  -0.748040D+00 -0.877792D-01  0.709499D+01  0.509891D+01  0.788774D+01
      6   0.832100D+01  0.173371D+02  0.305579D+01  0.640610D+01  0.244813D+01
               121           122           123           124           125 
      1   0.430440D+01 -0.225424D+01 -0.390901D+01  0.592669D+00 -0.246880D+01
      2  -0.370556D+01  0.161311D+01 -0.525973D+01 -0.168904D+01 -0.285396D+01
      3  -0.598843D+00  0.641134D+00  0.916874D+01  0.109637D+01  0.532276D+01
      4   0.799536D+01  0.157055D+02  0.700078D+01  0.110724D+01  0.436500D+01
      5   0.759688D+01  0.112811D+02  0.973883D+01  0.559433D+01  0.562270D+01
      6   0.699674D+01  0.189241D+02  0.102600D+02  0.245504D+01  0.900651D+01
               126           127           128           129           130 
      1  -0.281564D+01 -0.924223D+01 -0.373514D+01  0.132766D+02 -0.303921D+01
      2  -0.247199D+01 -0.977008D+00  0.143154D+01  0.367192D+01  0.162976D+01
      3   0.528763D+01  0.102192D+02  0.230359D+01 -0.169486D+02  0.140945D+01
      4   0.421908D+01  0.450156D+01  0.275307D+01 -0.311029D+01  0.349325D+01
      5   0.518256D+01 -0.135654D+02 -0.272026D+01  0.602543D+01 -0.264346D+01
      6   0.597802D+01 -0.538612D+01 -0.447482D+01  0.532742D+01 -0.304173D+01
               131           132           133           134           135 
      1  -0.356138D+01  0.291462D+01  0.102024D+02  0.260221D+01 -0.132136D+02
      2   0.820528D+00 -0.505640D+00  0.242552D+01 -0.118662D+00 -0.540334D+01
      3   0.274085D+01 -0.240898D+01 -0.126279D+02 -0.248355D+01  0.186169D+02
      4   0.130459D+01  0.809830D+00 -0.223028D+01  0.307575D+00  0.182302D+01
      5   0.274904D+00  0.237135D+00  0.748999D+01  0.857724D+00 -0.530629D+01
      6  -0.258898D+01  0.653524D+01  0.355024D+01  0.552458D+01 -0.515856D+01
               136           137           138           139           140 
      1   0.118155D+02 -0.467536D+01  0.308984D+01 -0.487843D+01 -0.147265D+01
      2  -0.890213D+01  0.163126D+01 -0.681045D+01  0.137317D+01  0.413404D+01
      3  -0.291332D+01  0.304410D+01  0.372061D+01  0.350527D+01 -0.266140D+01
      4  -0.144821D+02  0.131331D+02 -0.807662D+01  0.142877D+02 -0.153490D+02
      5   0.202663D+02 -0.116749D+02  0.171218D+02 -0.127969D+02  0.136931D+02
      6  -0.109506D+02  0.107668D+02 -0.826224D+01  0.111961D+02 -0.153761D+02
               141           142           143           144           145 
      1   0.329888D+01  0.187585D+01  0.235989D+01 -0.222215D+01  0.200137D+00
      2   0.195729D+01 -0.512468D+01  0.205181D+01 -0.568263D+01 -0.245517D+01
      3  -0.525617D+01  0.324883D+01 -0.441170D+01  0.790478D+01  0.225503D+01
      4   0.949796D+01 -0.541781D+01  0.608282D+01 -0.763662D+01 -0.209111D+01
      5  -0.121567D+02  0.131728D+02 -0.868475D+01  0.132136D+02 -0.362022D+01
      6   0.134360D+02 -0.655402D+01  0.987270D+01 -0.103690D+02  0.167966D+01
               146           147           148           149           150 
      1  -0.245794D+01 -0.540820D+01 -0.329709D+01 -0.378038D+00 -0.319906D+01
      2   0.117291D+01  0.277364D+01  0.149526D+01 -0.750211D+00  0.620723D-01
      3   0.128502D+01  0.263456D+01  0.180183D+01  0.112825D+01  0.313699D+01
      4   0.282435D+01  0.880263D+00  0.538531D+01 -0.180269D+01 -0.568565D+01
      5   0.765867D+00  0.604068D+01  0.196086D+01 -0.531546D+01 -0.600518D+01
      6   0.154804D+00  0.412216D+00 -0.159972D+01  0.349629D+01  0.827282D+01
               151           152           153           154           155 
      1  -0.656000D+01 -0.297040D+01 -0.152427D+02  0.128985D+02  0.881103D+01
      2   0.709856D+01 -0.326970D+00 -0.185088D+02 -0.395156D+01 -0.349939D+01
      3  -0.538561D+00  0.329737D+01  0.337515D+02 -0.894690D+01 -0.531164D+01
      4   0.201071D+01 -0.606799D+01 -0.627341D+01  0.922717D+01  0.135729D+02
      5   0.142462D+02 -0.584036D+01 -0.444954D+02  0.244145D+00 -0.164564D+01
      6  -0.240084D+01  0.801562D+01  0.127231D+02 -0.190775D+01 -0.239730D+01
               156           157           158           159           160 
      1   0.168168D+01  0.165453D+02  0.103710D+02 -0.118307D+01  0.550631D+01
      2  -0.503571D+00 -0.703351D+01  0.204489D+01  0.172524D+01 -0.186143D+01
      3  -0.117810D+01 -0.951175D+01 -0.124159D+02 -0.542169D+00 -0.364488D+01
      4  -0.592119D+00  0.167465D+02  0.312121D+02  0.151251D+00  0.877058D-01
      5   0.228140D+01 -0.419232D+01 -0.404721D+00  0.739082D+01  0.367870D+01
      6   0.657037D+00 -0.249351D+01 -0.718262D+01  0.237330D+01  0.114923D+01
               161           162           163           164           165 
      1   0.313396D+00  0.833556D-01  0.469315D+02 -0.175929D+02  0.758829D+01
      2   0.478402D+00 -0.157337D+01 -0.178791D+02  0.439026D+01 -0.249724D+01
      3  -0.791798D+00  0.149002D+01 -0.290524D+02  0.132027D+02 -0.509105D+01
      4   0.263662D+01  0.379735D+01 -0.257753D+02  0.193121D+02 -0.387520D+01
      5   0.433668D+01 -0.233991D+01  0.355853D+01 -0.145066D+01  0.749348D+01
      6   0.265816D+01  0.604394D+00  0.105369D+01 -0.162313D+01 -0.154613D+01
               166           167           168           169           170 
      1  -0.231721D+02  0.137792D+02 -0.242884D+01  0.161930D+02 -0.469934D+01
      2   0.589616D+01  0.134525D+01 -0.102951D+01 -0.614101D+01 -0.603732D-01
      3   0.172760D+02 -0.151244D+02  0.345836D+01 -0.100520D+02  0.475971D+01
      4   0.247726D+02 -0.206321D+02  0.444646D+01 -0.825871D+01  0.741940D+01
      5  -0.577775D+00  0.248468D+01 -0.749470D+01  0.842123D+01 -0.580762D+01
      6  -0.171211D+01  0.536143D+00  0.279189D+01 -0.205719D+01  0.218080D+01
               171 
      1   0.459861D+01
      2  -0.310558D+01
      3  -0.149303D+01
      4  -0.654743D+01
      5   0.403933D+01
      6  -0.949530D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:58:09 2021, MaxMem=  5368709120 cpu:            7144.7 elap:             895.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52233 -19.46949 -14.60409 -10.58682 -10.48639
 Alpha  occ. eigenvalues --  -10.44990 -10.42800 -10.42324  -1.25260  -1.15153
 Alpha  occ. eigenvalues --   -1.03414  -0.93081  -0.84667  -0.81610  -0.74346
 Alpha  occ. eigenvalues --   -0.68858  -0.64936  -0.63207  -0.61676  -0.59131
 Alpha  occ. eigenvalues --   -0.56249  -0.54696  -0.53551  -0.52884  -0.49485
 Alpha  occ. eigenvalues --   -0.49004  -0.45841  -0.45336  -0.43981  -0.43333
 Alpha  occ. eigenvalues --   -0.40940  -0.36460
 Alpha virt. eigenvalues --    0.03187   0.06018   0.06479   0.06937   0.08028
 Alpha virt. eigenvalues --    0.09591   0.10120   0.11292   0.11451   0.12146
 Alpha virt. eigenvalues --    0.14900   0.15538   0.16209   0.17011   0.17723
 Alpha virt. eigenvalues --    0.18035   0.19656   0.20922   0.21208   0.21982
 Alpha virt. eigenvalues --    0.22331   0.23566   0.24376   0.25206   0.25611
 Alpha virt. eigenvalues --    0.27135   0.27789   0.28674   0.29336   0.30730
 Alpha virt. eigenvalues --    0.31657   0.32264   0.32754   0.33902   0.34214
 Alpha virt. eigenvalues --    0.35082   0.35771   0.35882   0.36663   0.37658
 Alpha virt. eigenvalues --    0.37717   0.38053   0.38698   0.39219   0.40038
 Alpha virt. eigenvalues --    0.40385   0.40872   0.41606   0.42699   0.43118
 Alpha virt. eigenvalues --    0.43640   0.43937   0.44900   0.45141   0.45998
 Alpha virt. eigenvalues --    0.46201   0.47250   0.47484   0.49038   0.49408
 Alpha virt. eigenvalues --    0.50049   0.50467   0.51170   0.52518   0.52775
 Alpha virt. eigenvalues --    0.54025   0.54607   0.55003   0.55587   0.56810
 Alpha virt. eigenvalues --    0.57330   0.57910   0.58601   0.58806   0.60411
 Alpha virt. eigenvalues --    0.60830   0.61007   0.61271   0.63097   0.63810
 Alpha virt. eigenvalues --    0.64762   0.64987   0.66184   0.66720   0.67458
 Alpha virt. eigenvalues --    0.68462   0.69592   0.70332   0.71872   0.72905
 Alpha virt. eigenvalues --    0.73508   0.74978   0.76126   0.76920   0.77308
 Alpha virt. eigenvalues --    0.78210   0.79241   0.79554   0.81222   0.82361
 Alpha virt. eigenvalues --    0.84510   0.84973   0.87106   0.87968   0.90758
 Alpha virt. eigenvalues --    0.93401   0.95274   1.00316   1.02069   1.02721
 Alpha virt. eigenvalues --    1.04657   1.05897   1.08538   1.08849   1.10678
 Alpha virt. eigenvalues --    1.11977   1.12581   1.13986   1.14263   1.15577
 Alpha virt. eigenvalues --    1.17740   1.19921   1.22082   1.24673   1.26371
 Alpha virt. eigenvalues --    1.28836   1.29744   1.30665   1.34404   1.37132
 Alpha virt. eigenvalues --    1.38813   1.40378   1.42841   1.44338   1.46372
 Alpha virt. eigenvalues --    1.48107   1.51461   1.52714   1.57837   1.58273
 Alpha virt. eigenvalues --    1.63427   1.65086   1.67285   1.68634   1.71948
 Alpha virt. eigenvalues --    1.73706   1.76309   1.78969   1.80743   1.83973
 Alpha virt. eigenvalues --    1.84645   1.86568   1.89689   1.91509   1.93403
 Alpha virt. eigenvalues --    1.94406   1.96042   1.96728   1.97656   2.00538
 Alpha virt. eigenvalues --    2.00936   2.02354   2.05089   2.06053   2.08210
 Alpha virt. eigenvalues --    2.10770   2.11389   2.12636   2.13586   2.16325
 Alpha virt. eigenvalues --    2.16370   2.18316   2.19920   2.23287   2.24860
 Alpha virt. eigenvalues --    2.26982   2.28048   2.28698   2.30990   2.32810
 Alpha virt. eigenvalues --    2.34714   2.37749   2.38128   2.41791   2.43877
 Alpha virt. eigenvalues --    2.47990   2.48827   2.49476   2.52928   2.55126
 Alpha virt. eigenvalues --    2.60381   2.63230   2.67048   2.70166   2.74509
 Alpha virt. eigenvalues --    2.74870   2.76322   2.78552   2.87166   2.94854
 Alpha virt. eigenvalues --    2.94993   2.96259   3.01758   3.06669   3.06937
 Alpha virt. eigenvalues --    3.07902   3.10081   3.10559   3.16680   3.18537
 Alpha virt. eigenvalues --    3.21594   3.25851   3.26854   3.28396   3.32541
 Alpha virt. eigenvalues --    3.35475   3.45360   3.49965   3.68417   3.71060
 Alpha virt. eigenvalues --    3.88525   4.00022
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.279362   0.327632   0.009590   0.020932   0.009519  -0.023430
     2  C    0.327632   5.618549   0.351558  -0.090672  -0.035703   0.443989
     3  C    0.009590   0.351558   5.905479  -0.209509  -0.119957   0.014297
     4  C    0.020932  -0.090672  -0.209509   5.395019   0.308075  -0.056631
     5  O    0.009519  -0.035703  -0.119957   0.308075   8.032458   0.003750
     6  C   -0.023430   0.443989   0.014297  -0.056631   0.003750   4.173158
     7  N    0.024016  -0.161190  -0.118756   0.052253   0.007202  -0.043514
     8  O    0.003939   0.003437  -0.100416   0.601809  -0.030163  -0.008660
     9  H   -0.077535   0.071129   0.220908  -0.098553  -0.087381   0.026523
    10  H   -0.080052   0.279604  -0.085146  -0.029570  -0.055985  -0.024977
    11  H   -0.000684   0.002006   0.016785   0.088250   0.186752  -0.001149
    12  H    0.004087   0.009558   0.229848  -0.005732   0.003201   0.004114
    13  H   -0.011621  -0.045344   0.204473  -0.111925  -0.007358   0.013925
    14  H   -0.013407   0.113572  -0.017586  -0.013435  -0.001706   0.256119
    15  H    0.010031   0.052133  -0.043887   0.017552  -0.000450   0.322322
    16  H   -0.010420   0.093719   0.028577   0.002975   0.005456   0.137240
    17  H    0.388692  -0.024282  -0.003430   0.005627   0.004326   0.011266
    18  H    0.160692   0.183637  -0.026742   0.001681  -0.001715  -0.024300
    19  H    0.176574   0.137235   0.012112  -0.003471  -0.000489  -0.029871
               7          8          9         10         11         12
     1  C    0.024016   0.003939  -0.077535  -0.080052  -0.000684   0.004087
     2  C   -0.161190   0.003437   0.071129   0.279604   0.002006   0.009558
     3  C   -0.118756  -0.100416   0.220908  -0.085146   0.016785   0.229848
     4  C    0.052253   0.601809  -0.098553  -0.029570   0.088250  -0.005732
     5  O    0.007202  -0.030163  -0.087381  -0.055985   0.186752   0.003201
     6  C   -0.043514  -0.008660   0.026523  -0.024977  -0.001149   0.004114
     7  N    7.498709  -0.001686   0.007647   0.029034  -0.001068  -0.204426
     8  O   -0.001686   7.807614  -0.015639  -0.001002  -0.025007  -0.013597
     9  H    0.007647  -0.015639   0.939307   0.061391   0.007436  -0.052835
    10  H    0.029034  -0.001002   0.061391   1.145835   0.001077  -0.007820
    11  H   -0.001068  -0.025007   0.007436   0.001077   0.483224  -0.000038
    12  H   -0.204426  -0.013597  -0.052835  -0.007820  -0.000038   0.959577
    13  H   -0.082234   0.015816   0.038951   0.006018   0.000817  -0.023247
    14  H   -0.043758  -0.016515  -0.003519  -0.017196   0.000357   0.004389
    15  H   -0.011375  -0.008837  -0.000409  -0.016589  -0.001358   0.002341
    16  H    0.013715   0.003405  -0.004298   0.024567  -0.000410  -0.000181
    17  H    0.009308  -0.000029  -0.039121  -0.044384  -0.000021   0.000803
    18  H   -0.018959  -0.000004  -0.000913   0.000767   0.000073   0.001005
    19  H   -0.003348   0.000280   0.011366   0.036092  -0.000045  -0.000143
              13         14         15         16         17         18
     1  C   -0.011621  -0.013407   0.010031  -0.010420   0.388692   0.160692
     2  C   -0.045344   0.113572   0.052133   0.093719  -0.024282   0.183637
     3  C    0.204473  -0.017586  -0.043887   0.028577  -0.003430  -0.026742
     4  C   -0.111925  -0.013435   0.017552   0.002975   0.005627   0.001681
     5  O   -0.007358  -0.001706  -0.000450   0.005456   0.004326  -0.001715
     6  C    0.013925   0.256119   0.322322   0.137240   0.011266  -0.024300
     7  N   -0.082234  -0.043758  -0.011375   0.013715   0.009308  -0.018959
     8  O    0.015816  -0.016515  -0.008837   0.003405  -0.000029  -0.000004
     9  H    0.038951  -0.003519  -0.000409  -0.004298  -0.039121  -0.000913
    10  H    0.006018  -0.017196  -0.016589   0.024567  -0.044384   0.000767
    11  H    0.000817   0.000357  -0.001358  -0.000410  -0.000021   0.000073
    12  H   -0.023247   0.004389   0.002341  -0.000181   0.000803   0.001005
    13  H    0.904585   0.011962  -0.013060  -0.001337  -0.000891  -0.004913
    14  H    0.011962   0.778355  -0.018759  -0.062493  -0.002712   0.023125
    15  H   -0.013060  -0.018759   0.945026  -0.161119  -0.003330   0.001289
    16  H   -0.001337  -0.062493  -0.161119   0.937118   0.012405  -0.026473
    17  H   -0.000891  -0.002712  -0.003330   0.012405   0.878402  -0.102730
    18  H   -0.004913   0.023125   0.001289  -0.026473  -0.102730   0.744787
    19  H    0.001300  -0.021597   0.005045   0.006416  -0.130205   0.003019
              19
     1  C    0.176574
     2  C    0.137235
     3  C    0.012112
     4  C   -0.003471
     5  O   -0.000489
     6  C   -0.029871
     7  N   -0.003348
     8  O    0.000280
     9  H    0.011366
    10  H    0.036092
    11  H   -0.000045
    12  H   -0.000143
    13  H    0.001300
    14  H   -0.021597
    15  H    0.005045
    16  H    0.006416
    17  H   -0.130205
    18  H    0.003019
    19  H    0.854455
 Mulliken charges:
               1
     1  C    0.802082
     2  C   -1.330567
     3  C   -0.268199
     4  C    0.125325
     5  O   -0.219833
     6  C    0.805827
     7  N    0.048430
     8  O   -0.214748
     9  H   -0.004457
    10  H   -0.221665
    11  H    0.243003
    12  H    0.089096
    13  H    0.104083
    14  H    0.044804
    15  H   -0.076568
    16  H    0.001136
    17  H    0.040304
    18  H    0.086674
    19  H   -0.054727
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.874333
     2  C   -1.552232
     3  C   -0.272656
     4  C    0.125325
     5  O    0.023170
     6  C    0.775199
     7  N    0.241609
     8  O   -0.214748
 Electronic spatial extent (au):  <R**2>=           1049.8928
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.2117    Y=             -1.1236    Z=             -0.8457  Tot=              1.4221
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -50.6523   YY=            -48.7988   ZZ=            -50.0085
   XY=              1.6026   XZ=              3.3102   YZ=             -2.1439
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.8325   YY=              1.0211   ZZ=             -0.1886
   XY=              1.6026   XZ=              3.3102   YZ=             -2.1439
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -23.0964  YYY=              3.0254  ZZZ=             -4.0652  XYY=            -14.2486
  XXY=            -20.0758  XXZ=             -5.3701  XZZ=             -1.3887  YZZ=              3.4409
  YYZ=              1.1718  XYZ=              5.1724
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -753.4836 YYYY=           -290.8604 ZZZZ=           -265.2893 XXXY=             52.7235
 XXXZ=             23.6830 YYYX=              0.4902 YYYZ=             -1.8140 ZZZX=             -0.5643
 ZZZY=             -0.4944 XXYY=           -167.6469 XXZZ=           -185.1048 YYZZ=            -91.8565
 XXYZ=             -5.5863 YYXZ=              5.3181 ZZXY=             -1.3013
 N-N= 4.078503088607D+02 E-N=-1.751828386262D+03  KE= 3.973353067749D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:58:09 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.09422957D-01-4.00661973D-01-3.20379229D-01
 Polarizability= 8.17941946D+01 2.44033481D-02 7.23061945D+01
                -2.39603674D+00 1.78836517D+00 6.98361564D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.2977    1.3004       -0.1107   -0.1091
 2     -1.2977   -1.3004       -0.9299   -0.9250       -5.1082   -5.1181
 3      0.1107    0.1091        6.3043    6.3174        0.9286    0.9250
 4      0.9299    0.9250        0.0000    0.0000        0.1108    0.1091
 5     -1.1961   -1.1993       -0.1108   -0.1091        1.3001    1.3004
 6     -0.9286   -0.9250       -1.3001   -1.3004        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.9011   -3.9011       -0.3272   -0.3272
 2      2.7751    2.7751       -0.0000    0.0000       -0.3272   -0.3272
 3      2.7751    2.7751       -3.9011   -3.9011        0.0000    0.0000
 4     -3.9011   -3.9011       -2.7751   -2.7751      -15.3543  -15.3543
 5      0.3272    0.3272       18.9521   18.9521        2.7751    2.7751
 6     -3.5979   -3.5979       -0.3272   -0.3272        3.9011    3.9011
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0302    0.0000       -5.4042   -5.2015        0.0641    0.4363
 2      5.1079    5.2015        3.7554    3.7002       20.1299   20.4724
 3      0.0640   -0.4363      -25.1897  -25.2695       -3.7922   -3.7002
 4     -3.3736   -3.7002        0.1133    0.0000       -0.8006   -0.4363
 5      4.7725    4.7972        0.0287    0.4363       -5.4310   -5.2015
 6      3.7700    3.7002        5.2837    5.2015        0.0066    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0543    0.0000        6.0932    6.3136       -6.6219   -6.4497
 2     -6.0639   -6.3136        7.9512    7.4311        9.1090    8.7731
 3      5.9369    6.4497       17.4363   17.5849       -8.3307   -7.4311
 4     -7.5234   -7.4311       -0.1849    0.0000        6.3264    6.4497
 5    -27.1250  -26.3580       -6.4752   -6.4497        6.3578    6.3136
 6      7.6358    7.4311       -6.0112   -6.3136        0.4058    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.9534   -7.7699       17.0841   17.2890       12.8500   12.2124
 2    -24.8705  -24.7759       24.4033   25.0174       12.2712   12.2124
 3    -25.0601  -24.7759       16.8905   17.2890       16.9376   16.7702
 4     -7.4976   -7.7284       17.1401   17.0060       19.3546   19.2267
 5      3.8602    4.5578       32.6747   32.3905      -17.9961  -17.0060
 6    -52.7574  -51.6172       -4.0432   -4.5578        8.1595    7.7284
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0707   -4.1717   -0.0009   -0.0008   -0.0007    4.2328
 Low frequencies ---   52.1256   82.8422  177.1609
 Diagonal vibrational polarizability:
       16.6796095      21.0953530      40.8895042
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     52.1220                82.8409               177.1609
 Red. masses --      5.5843                 3.4155                 3.3672
 Frc consts  --      0.0089                 0.0138                 0.0623
 IR Inten    --      1.1327                 0.6329                 0.1603
 RamAct Fr= 1--      0.8189                 0.4161                 0.4254
  Dep-P Fr= 1--      0.7472                 0.7452                 0.6730
  Dep-U Fr= 1--      0.8553                 0.8540                 0.8046
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0006
 Beta2  Fr= 1--      0.1167                 0.0592                 0.0571
 AlphaG Fr= 1--     -0.0003                -0.0001                 0.0005
 Gamma2 Fr= 1--     -0.1296                 0.1780                 0.2145
 Delta2 Fr= 1--     -0.1713                 0.1595                 0.0931
 Raman1 Fr= 1--       3.276                  1.664                  1.702
 ROA1   Fr= 1--     -17.920                 22.190                 23.569
 CID1   Fr= 1--      -5.471                 13.334                 13.849
 Raman2 Fr= 1--       1.401                  0.711                  0.685
 ROA2   Fr= 1--      -1.739                  2.996                  4.402
 CID2   Fr= 1--      -1.241                  4.216                  6.431
 Raman3 Fr= 1--       2.802                  1.421                  1.369
 ROA3   Fr= 1--     -17.920                 22.190                 23.569
 CID3   Fr= 1--      -6.396                 15.614                 17.213
 RC180  Fr= 1--       0.711                  0.708                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.12  -0.01    -0.07  -0.16  -0.13    -0.04  -0.15   0.01
     2   6     0.01  -0.02  -0.10    -0.01   0.00   0.04    -0.10   0.04  -0.06
     3   6    -0.00   0.03   0.00     0.00   0.04   0.08    -0.01   0.14  -0.07
     4   6    -0.01   0.04   0.01    -0.03   0.00  -0.03     0.06   0.02  -0.00
     5   8     0.14  -0.14   0.30     0.09  -0.04  -0.02     0.19  -0.05   0.05
     6   6    -0.06  -0.23  -0.07     0.16   0.13   0.01    -0.20   0.03  -0.05
     7   7     0.03   0.01   0.06    -0.00   0.02   0.19     0.01   0.12  -0.01
     8   8    -0.13   0.21  -0.22    -0.15   0.01  -0.14     0.06  -0.10   0.09
     9   1    -0.05   0.09  -0.01     0.03   0.12   0.07    -0.03   0.18  -0.08
    10   1     0.04   0.00  -0.25    -0.11   0.01   0.17    -0.21   0.08  -0.07
    11   1     0.11  -0.09   0.26     0.04  -0.05  -0.12     0.27  -0.19   0.14
    12   1     0.01   0.05   0.11    -0.03   0.07   0.26    -0.06   0.16   0.08
    13   1     0.06  -0.02   0.08     0.02  -0.06   0.22     0.12   0.06   0.04
    14   1    -0.13  -0.25   0.10     0.33   0.11  -0.12     0.00  -0.05  -0.03
    15   1    -0.07  -0.37  -0.13     0.18   0.32   0.12    -0.28   0.25  -0.14
    16   1    -0.03  -0.25  -0.14     0.09   0.06   0.02    -0.40  -0.13   0.03
    17   1     0.06   0.31  -0.05    -0.19  -0.32  -0.09    -0.02  -0.15   0.01
    18   1     0.01   0.10   0.17    -0.00  -0.16  -0.31     0.13  -0.20   0.02
    19   1     0.02   0.05  -0.11    -0.05  -0.14  -0.11    -0.16  -0.27   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    185.3957               217.8623               256.6939
 Red. masses --      1.1142                 1.1045                 1.2139
 Frc consts  --      0.0226                 0.0309                 0.0471
 IR Inten    --     38.0562                 0.8827                 2.7907
 RamAct Fr= 1--      0.1099                 0.0443                 0.0793
  Dep-P Fr= 1--      0.7451                 0.1873                 0.6858
  Dep-U Fr= 1--      0.8539                 0.3156                 0.8137
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0001
 Beta2  Fr= 1--      0.0156                 0.0023                 0.0108
 AlphaG Fr= 1--      0.0003                -0.0005                 0.0015
 Gamma2 Fr= 1--     -0.1111                -0.0024                -0.0262
 Delta2 Fr= 1--      0.0826                -0.0274                 0.0399
 Raman1 Fr= 1--       0.440                  0.177                  0.317
 ROA1   Fr= 1--      -8.025                 -1.109                 -1.235
 CID1   Fr= 1--     -18.257                 -6.267                 -3.893
 Raman2 Fr= 1--       0.188                  0.028                  0.129
 ROA2   Fr= 1--      -3.328                  0.161                 -0.948
 CID2   Fr= 1--     -17.733                  5.771                 -7.344
 Raman3 Fr= 1--       0.375                  0.056                  0.258
 ROA3   Fr= 1--      -8.025                 -1.109                 -1.235
 CID3   Fr= 1--     -21.380                -19.858                 -4.785
 RC180  Fr= 1--       0.708                 -0.369                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.02    -0.00  -0.04   0.01     0.04   0.02   0.03
     2   6     0.01   0.02   0.00    -0.00   0.01   0.02     0.02   0.00  -0.02
     3   6    -0.01  -0.01   0.00    -0.00   0.01   0.02     0.00  -0.02  -0.02
     4   6    -0.01  -0.01   0.01    -0.01   0.00   0.01    -0.00  -0.02  -0.02
     5   8    -0.02   0.00  -0.01     0.02   0.00  -0.02    -0.06  -0.02   0.02
     6   6     0.01  -0.00   0.01     0.03   0.01   0.02     0.02   0.03  -0.03
     7   7     0.02  -0.01  -0.07    -0.01   0.02  -0.04    -0.04  -0.02   0.04
     8   8    -0.02  -0.00  -0.00    -0.03  -0.01   0.00     0.03   0.01  -0.01
     9   1    -0.03  -0.03   0.00    -0.01  -0.02   0.02     0.01   0.01  -0.02
    10   1     0.02   0.02   0.00    -0.02   0.02   0.02     0.03  -0.00  -0.03
    11   1    -0.03   0.02  -0.03     0.01  -0.01  -0.04    -0.05   0.03   0.05
    12   1    -0.52  -0.02   0.37    -0.06  -0.01  -0.02     0.11  -0.01  -0.07
    13   1     0.65  -0.12   0.17     0.06   0.05  -0.03    -0.26  -0.03  -0.02
    14   1     0.20  -0.08   0.04    -0.15   0.08   0.02     0.46  -0.11  -0.09
    15   1    -0.02   0.16  -0.00     0.09  -0.19   0.06    -0.07   0.50  -0.05
    16   1    -0.12  -0.14   0.02     0.20   0.15  -0.03    -0.32  -0.28   0.05
    17   1     0.03   0.04   0.02    -0.14   0.44  -0.07     0.04   0.28  -0.02
    18   1     0.03   0.02   0.03     0.30  -0.18   0.41     0.15  -0.05   0.28
    19   1     0.01   0.01   0.02    -0.15  -0.43  -0.34    -0.03  -0.16  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    259.4070               293.4039               342.7100
 Red. masses --      2.2903                 2.8466                 3.2790
 Frc consts  --      0.0908                 0.1444                 0.2269
 IR Inten    --      1.8722                 5.6278                 7.9590
 RamAct Fr= 1--      0.2032                 0.3026                 1.3028
  Dep-P Fr= 1--      0.2239                 0.4865                 0.3173
  Dep-U Fr= 1--      0.3659                 0.6545                 0.4818
 Alpha2 Fr= 1--      0.0026                 0.0016                 0.0127
 Beta2  Fr= 1--      0.0124                 0.0330                 0.1046
 AlphaG Fr= 1--     -0.0054                -0.0004                -0.0008
 Gamma2 Fr= 1--     -0.1603                 0.1473                -0.0127
 Delta2 Fr= 1--     -0.0537                 0.1053                -0.0986
 Raman1 Fr= 1--       0.813                  1.210                  5.211
 ROA1   Fr= 1--     -17.112                 17.509                 -4.373
 CID1   Fr= 1--     -21.055                 14.466                 -0.839
 Raman2 Fr= 1--       0.149                  0.396                  1.255
 ROA2   Fr= 1--      -3.419                  2.692                  0.485
 CID2   Fr= 1--     -22.992                  6.796                  0.386
 Raman3 Fr= 1--       0.297                  0.792                  2.511
 ROA3   Fr= 1--     -17.112                 17.509                 -4.373
 CID3   Fr= 1--     -57.542                 22.100                 -1.742
 RC180  Fr= 1--      -0.268                  0.309                 -0.036
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01   0.00    -0.13   0.14  -0.06    -0.18   0.05  -0.11
     2   6     0.02  -0.01  -0.07    -0.05  -0.05   0.02    -0.03   0.00   0.12
     3   6     0.01  -0.03  -0.06    -0.01  -0.05   0.02     0.04  -0.03  -0.01
     4   6     0.01  -0.03  -0.04    -0.02   0.00   0.02     0.10  -0.02  -0.09
     5   8    -0.09  -0.03   0.04     0.04  -0.01  -0.01     0.03  -0.02  -0.02
     6   6    -0.10   0.15  -0.08    -0.08   0.08   0.01    -0.05  -0.04   0.15
     7   7     0.01  -0.07   0.16     0.26  -0.11   0.01    -0.11  -0.01   0.02
     8   8     0.09   0.03  -0.02    -0.05  -0.05   0.02     0.22   0.08  -0.06
     9   1     0.01   0.09  -0.08    -0.04  -0.06   0.02     0.19  -0.06  -0.00
    10   1     0.06  -0.04  -0.02     0.02  -0.07   0.05    -0.04  -0.00   0.14
    11   1    -0.08   0.05   0.10     0.05  -0.07  -0.03     0.05   0.01   0.04
    12   1    -0.13   0.03   0.37     0.49   0.03  -0.06    -0.32  -0.08   0.13
    13   1     0.12  -0.29   0.24     0.26  -0.00  -0.02    -0.07  -0.13   0.06
    14   1    -0.43   0.28  -0.16     0.02   0.07  -0.09    -0.02  -0.08   0.23
    15   1    -0.08  -0.10  -0.12    -0.13   0.26  -0.02    -0.07  -0.04   0.10
    16   1     0.10   0.42   0.04    -0.19   0.05   0.13    -0.09  -0.11   0.13
    17   1     0.11   0.06  -0.01    -0.26   0.35  -0.09    -0.50   0.15  -0.11
    18   1     0.10  -0.04   0.09    -0.20   0.14   0.09    -0.17   0.05  -0.12
    19   1     0.01  -0.08   0.00    -0.03   0.12  -0.29    -0.05   0.02  -0.40
                     10                     11                     12
                      A                      A                      A
 Frequencies --    396.0426               440.6555               570.6859
 Red. masses --      2.4307                 3.7985                 1.7697
 Frc consts  --      0.2246                 0.4346                 0.3396
 IR Inten    --      1.3089                16.4141                40.2788
 RamAct Fr= 1--      0.6562                 2.3165                 1.4329
  Dep-P Fr= 1--      0.3270                 0.1973                 0.2519
  Dep-U Fr= 1--      0.4929                 0.3296                 0.4024
 Alpha2 Fr= 1--      0.0062                 0.0317                 0.0169
 Beta2  Fr= 1--      0.0539                 0.1273                 0.0961
 AlphaG Fr= 1--     -0.0137                -0.0007                -0.0133
 Gamma2 Fr= 1--      0.2420                 0.1463                -0.8054
 Delta2 Fr= 1--     -0.0281                -0.0563                 0.0900
 Raman1 Fr= 1--       2.625                  9.266                  5.732
 ROA1   Fr= 1--      22.333                 12.245                -74.438
 CID1   Fr= 1--       8.508                  1.321                -12.987
 Raman2 Fr= 1--       0.647                  1.527                  1.153
 ROA2   Fr= 1--       6.032                  3.962                -20.050
 CID2   Fr= 1--       9.325                  2.595                -17.384
 Raman3 Fr= 1--       1.294                  3.054                  2.307
 ROA3   Fr= 1--      22.333                 12.245                -74.438
 CID3   Fr= 1--      17.261                  4.009                -32.271
 RC180  Fr= 1--      -0.014                 -0.341                 -0.195
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.03   0.16    -0.04   0.01   0.07     0.06   0.00  -0.03
     2   6    -0.16  -0.02  -0.00    -0.05  -0.17  -0.06     0.04   0.05   0.02
     3   6    -0.06   0.05  -0.10    -0.04  -0.12   0.04    -0.05  -0.03  -0.09
     4   6    -0.02   0.02  -0.11     0.04   0.06   0.12    -0.09   0.09  -0.06
     5   8    -0.01  -0.05   0.01     0.23   0.12  -0.07     0.03   0.06  -0.03
     6   6     0.15  -0.01  -0.03     0.00   0.04  -0.11     0.01  -0.00   0.06
     7   7     0.05   0.00   0.01    -0.14  -0.12  -0.00    -0.02  -0.10   0.01
     8   8     0.08  -0.01  -0.01    -0.00   0.13   0.05    -0.04   0.02   0.05
     9   1     0.04   0.07  -0.10    -0.18  -0.14   0.04    -0.00  -0.07  -0.08
    10   1    -0.18  -0.01   0.01    -0.02  -0.17  -0.05     0.11   0.02   0.06
    11   1     0.10  -0.13   0.21     0.15  -0.06  -0.37     0.44  -0.51   0.56
    12   1     0.07   0.11   0.09    -0.30  -0.22   0.03     0.05   0.01   0.07
    13   1     0.10  -0.08   0.05    -0.14  -0.16   0.00    -0.07  -0.22   0.03
    14   1     0.20   0.00  -0.16     0.02   0.09  -0.37     0.01  -0.04   0.19
    15   1     0.33  -0.06   0.28     0.03   0.17  -0.01    -0.01  -0.06   0.01
    16   1     0.33   0.03  -0.29     0.03   0.14   0.01    -0.02  -0.06   0.01
    17   1     0.09   0.06   0.14     0.12   0.13   0.03     0.01  -0.05  -0.02
    18   1    -0.22   0.04   0.26    -0.22   0.04   0.23     0.16  -0.02  -0.09
    19   1    -0.14   0.08   0.28     0.01   0.09   0.10     0.02  -0.06  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    609.4360               656.4943               717.4688
 Red. masses --      1.9777                 2.7922                 3.1937
 Frc consts  --      0.4328                 0.7090                 0.9686
 IR Inten    --     41.0083                26.8780                27.8350
 RamAct Fr= 1--      1.0353                 2.1779                13.7086
  Dep-P Fr= 1--      0.6953                 0.6005                 0.0223
  Dep-U Fr= 1--      0.8203                 0.7504                 0.0437
 Alpha2 Fr= 1--      0.0010                 0.0060                 0.2891
 Beta2  Fr= 1--      0.1415                 0.2724                 0.0998
 AlphaG Fr= 1--     -0.0043                -0.0241                 0.1298
 Gamma2 Fr= 1--      0.0044                -0.4580                -0.3292
 Delta2 Fr= 1--      0.2901                 0.0838                 0.0167
 Raman1 Fr= 1--       4.141                  8.711                 54.834
 ROA1   Fr= 1--       9.702                -41.289                -31.069
 CID1   Fr= 1--       2.343                 -4.740                 -0.567
 Raman2 Fr= 1--       1.698                  3.268                  1.197
 ROA2   Fr= 1--      -2.216                -11.663                 -8.034
 CID2   Fr= 1--      -1.305                 -3.568                 -6.711
 Raman3 Fr= 1--       3.397                  6.537                  2.394
 ROA3   Fr= 1--       9.702                -41.289                -31.069
 CID3   Fr= 1--       2.856                 -6.317                -12.976
 RC180  Fr= 1--       0.641                  0.501                 -0.913
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00    -0.01   0.00  -0.00    -0.10   0.01   0.05
     2   6    -0.04   0.19  -0.01     0.00  -0.01   0.02    -0.05   0.17  -0.03
     3   6    -0.09  -0.02  -0.05     0.06  -0.01  -0.19     0.07  -0.05   0.07
     4   6    -0.03  -0.04   0.05     0.05   0.11  -0.09     0.21  -0.09   0.12
     5   8     0.05  -0.06  -0.02     0.05   0.12   0.15    -0.04   0.14  -0.00
     6   6     0.01   0.01   0.02     0.01  -0.00   0.05    -0.02   0.02  -0.10
     7   7     0.02  -0.11   0.01    -0.03  -0.07   0.00     0.01  -0.09   0.00
     8   8     0.04   0.07   0.03    -0.09  -0.15   0.01    -0.03  -0.07  -0.12
     9   1    -0.16  -0.05  -0.04     0.12  -0.03  -0.18    -0.07  -0.12   0.08
    10   1     0.04   0.15   0.04     0.02  -0.02   0.06    -0.03   0.16  -0.02
    11   1    -0.26   0.12  -0.62    -0.28   0.68  -0.26     0.24   0.08   0.60
    12   1     0.22   0.06   0.01    -0.07   0.01   0.11    -0.03  -0.17  -0.04
    13   1     0.00  -0.12   0.01    -0.20  -0.34   0.02    -0.07  -0.06  -0.03
    14   1     0.06  -0.08   0.28     0.04  -0.02   0.09     0.04  -0.05   0.11
    15   1     0.04  -0.12   0.04     0.03  -0.04   0.08     0.02  -0.09  -0.06
    16   1    -0.00  -0.14  -0.23     0.02  -0.03  -0.02    -0.01  -0.10  -0.33
    17   1     0.02  -0.13   0.02    -0.06   0.02  -0.00    -0.08  -0.11   0.07
    18   1     0.25  -0.05  -0.10    -0.03   0.01  -0.00     0.10  -0.04  -0.03
    19   1    -0.17  -0.13   0.11     0.03   0.02  -0.06    -0.28  -0.11   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    837.6970               844.6302               911.1664
 Red. masses --      3.1109                 2.1743                 1.9172
 Frc consts  --      1.2862                 0.9139                 0.9378
 IR Inten    --      9.1368               105.1757                45.4285
 RamAct Fr= 1--      5.6758                 1.7513                 2.3692
  Dep-P Fr= 1--      0.0746                 0.4305                 0.7483
  Dep-U Fr= 1--      0.1389                 0.6019                 0.8561
 Alpha2 Fr= 1--      0.1057                 0.0116                 0.0001
 Beta2  Fr= 1--      0.1314                 0.1757                 0.3380
 AlphaG Fr= 1--     -0.0269                -0.0082                 0.0003
 Gamma2 Fr= 1--     -0.3518                -0.1505                 0.7783
 Delta2 Fr= 1--     -0.3221                 0.3633                 0.7868
 Raman1 Fr= 1--      22.703                  7.005                  9.477
 ROA1   Fr= 1--     -44.082                 -2.823                 99.898
 CID1   Fr= 1--      -1.942                 -0.403                 10.541
 Raman2 Fr= 1--       1.577                  2.108                  4.056
 ROA2   Fr= 1--      -5.868                 -6.518                 12.386
 CID2   Fr= 1--      -3.721                 -3.092                  3.053
 Raman3 Fr= 1--       3.154                  4.216                  8.113
 ROA3   Fr= 1--     -44.082                 -2.823                 99.898
 CID3   Fr= 1--     -13.979                 -0.670                 12.314
 RC180  Fr= 1--      -0.722                  0.204                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.03  -0.05     0.05   0.01  -0.04    -0.08  -0.05   0.09
     2   6    -0.04  -0.09  -0.07    -0.02  -0.02  -0.01     0.13  -0.00   0.06
     3   6    -0.10   0.06  -0.17    -0.14   0.04   0.13     0.06   0.05  -0.09
     4   6     0.14  -0.13   0.19     0.03   0.04  -0.11     0.01  -0.02   0.06
     5   8    -0.02   0.04  -0.04     0.02   0.05   0.04    -0.01  -0.01  -0.02
     6   6    -0.00   0.00   0.19     0.00  -0.01   0.02     0.04   0.01  -0.10
     7   7    -0.01   0.04   0.00    -0.11  -0.11  -0.01    -0.10  -0.04  -0.00
     8   8    -0.02   0.02  -0.07     0.06  -0.06  -0.05    -0.03   0.03   0.01
     9   1    -0.45   0.11  -0.18    -0.09   0.08   0.12     0.08   0.05  -0.09
    10   1    -0.11  -0.07  -0.00    -0.01  -0.01  -0.05     0.03   0.00   0.18
    11   1     0.07  -0.01   0.13     0.00   0.28   0.13    -0.00  -0.09  -0.04
    12   1     0.23   0.35   0.09     0.44   0.17  -0.16     0.41   0.36  -0.02
    13   1     0.05  -0.11   0.05     0.58   0.37   0.07     0.36   0.04   0.10
    14   1     0.04   0.01   0.09    -0.02   0.02  -0.06    -0.06  -0.02   0.13
    15   1     0.07   0.04   0.35    -0.01   0.05   0.02    -0.09  -0.10  -0.38
    16   1     0.06   0.04   0.15     0.01   0.05   0.12    -0.08  -0.06   0.00
    17   1     0.18   0.14  -0.09     0.14  -0.01  -0.04    -0.32   0.04   0.09
    18   1    -0.17   0.03   0.09     0.09  -0.01  -0.01    -0.26   0.01   0.05
    19   1     0.21   0.11  -0.09    -0.01  -0.02   0.04     0.14   0.07  -0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    941.0997               960.0255               978.1314
 Red. masses --      1.2075                 2.0674                 1.7240
 Frc consts  --      0.6301                 1.1227                 0.9718
 IR Inten    --      6.8293                17.1140                 6.3616
 RamAct Fr= 1--      0.4000                 5.3279                 2.3411
  Dep-P Fr= 1--      0.3776                 0.7203                 0.7191
  Dep-U Fr= 1--      0.5482                 0.8374                 0.8366
 Alpha2 Fr= 1--      0.0032                 0.0027                 0.0012
 Beta2  Fr= 1--      0.0366                 0.7436                 0.3264
 AlphaG Fr= 1--     -0.0068                -0.0074                -0.0063
 Gamma2 Fr= 1--     -0.0043                -0.4897                 0.4745
 Delta2 Fr= 1--      0.0919                -0.0585                 0.1975
 Raman1 Fr= 1--       1.600                 21.312                  9.364
 ROA1   Fr= 1--       2.531                -48.887                 51.866
 CID1   Fr= 1--       1.582                 -2.294                  5.539
 Raman2 Fr= 1--       0.439                  8.923                  3.917
 ROA2   Fr= 1--      -0.838                -11.286                  9.807
 CID2   Fr= 1--      -1.910                 -1.265                  2.504
 Raman3 Fr= 1--       0.877                 17.846                  7.834
 ROA3   Fr= 1--       2.531                -48.887                 51.866
 CID3   Fr= 1--       2.886                 -2.739                  6.620
 RC180  Fr= 1--       0.096                  0.675                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05  -0.05     0.08  -0.03  -0.06    -0.12   0.03  -0.04
     2   6     0.01  -0.00  -0.03    -0.11   0.03  -0.01     0.02   0.02  -0.10
     3   6    -0.03  -0.02   0.03     0.20   0.04   0.02     0.11   0.03  -0.02
     4   6    -0.01   0.01  -0.03    -0.02   0.02   0.02    -0.01   0.01   0.02
     5   8     0.00   0.00   0.01    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01
     6   6     0.05   0.06   0.01    -0.07   0.03   0.02     0.07  -0.04   0.10
     7   7     0.02   0.01   0.00    -0.07  -0.09  -0.01    -0.04  -0.05  -0.01
     8   8     0.01  -0.01  -0.00    -0.03   0.02   0.04    -0.02   0.02   0.02
     9   1    -0.07  -0.00   0.03     0.34   0.11   0.01     0.19   0.06  -0.02
    10   1    -0.14  -0.03   0.32    -0.41   0.13   0.01    -0.01   0.08  -0.32
    11   1     0.00   0.03   0.02    -0.01  -0.12  -0.05    -0.01  -0.08  -0.04
    12   1    -0.09  -0.08  -0.00     0.11  -0.09  -0.13     0.07  -0.00  -0.04
    13   1    -0.07   0.02  -0.02     0.19   0.08   0.02     0.08  -0.02   0.01
    14   1    -0.06  -0.02   0.48     0.11  -0.04   0.04    -0.13   0.08  -0.08
    15   1    -0.09  -0.18  -0.33     0.11  -0.03   0.34    -0.08   0.13  -0.12
    16   1    -0.14  -0.14  -0.01     0.06  -0.04  -0.35    -0.00   0.14   0.53
    17   1     0.39   0.19  -0.12     0.18   0.18  -0.11     0.28  -0.06  -0.04
    18   1    -0.29  -0.01   0.30    -0.20   0.04   0.09     0.09  -0.05   0.11
    19   1    -0.00   0.11   0.15     0.26   0.16  -0.10    -0.42  -0.11   0.32
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1076.0223              1096.4324              1130.8188
 Red. masses --      1.5858                 1.6217                 2.9467
 Frc consts  --      1.0818                 1.1487                 2.2201
 IR Inten    --     18.4083                 9.0902               255.0668
 RamAct Fr= 1--      3.8076                 4.8303                 1.5908
  Dep-P Fr= 1--      0.4659                 0.5681                 0.5397
  Dep-U Fr= 1--      0.6356                 0.7246                 0.7010
 Alpha2 Fr= 1--      0.0219                 0.0166                 0.0064
 Beta2  Fr= 1--      0.4034                 0.5834                 0.1859
 AlphaG Fr= 1--     -0.0110                -0.0091                -0.0180
 Gamma2 Fr= 1--      0.2549                -0.7622                -0.0069
 Delta2 Fr= 1--      0.4179                -0.4841                -0.1663
 Raman1 Fr= 1--      15.230                 19.321                  6.363
 ROA1   Fr= 1--      37.838                -88.666                 -5.981
 CID1   Fr= 1--       2.484                 -4.589                 -0.940
 Raman2 Fr= 1--       4.840                  7.000                  2.230
 ROA2   Fr= 1--       2.774                -14.421                  1.165
 CID2   Fr= 1--       0.573                 -2.060                  0.522
 Raman3 Fr= 1--       9.681                 14.000                  4.461
 ROA3   Fr= 1--      37.838                -88.666                 -5.981
 CID3   Fr= 1--       3.909                 -6.333                 -1.341
 RC180  Fr= 1--       0.271                  0.449                  0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.05  -0.01    -0.02  -0.04   0.09    -0.00  -0.05   0.02
     2   6     0.03  -0.09  -0.07     0.07   0.01  -0.13     0.00   0.07  -0.05
     3   6     0.06  -0.10  -0.03    -0.01   0.08   0.03    -0.00  -0.07  -0.01
     4   6    -0.01   0.01  -0.00    -0.01   0.02  -0.02    -0.15  -0.21  -0.04
     5   8     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.02   0.21   0.12
     6   6    -0.05   0.08   0.04     0.01   0.03   0.06     0.01  -0.02   0.02
     7   7    -0.04   0.07   0.03     0.03  -0.09  -0.00     0.02   0.04   0.02
     8   8    -0.01   0.00   0.01     0.01  -0.00   0.00     0.06  -0.04  -0.06
     9   1    -0.02   0.18  -0.07    -0.33   0.49  -0.03     0.27   0.16  -0.04
    10   1     0.43  -0.25   0.09     0.07   0.03  -0.22    -0.01   0.08  -0.13
    11   1     0.01  -0.05  -0.02    -0.00   0.06   0.04     0.01  -0.63  -0.43
    12   1     0.08   0.01  -0.11    -0.22  -0.42  -0.12    -0.00  -0.04  -0.05
    13   1     0.23   0.31   0.05    -0.08   0.12  -0.08     0.09   0.20   0.00
    14   1     0.16  -0.06   0.26     0.03  -0.00   0.17    -0.03   0.02  -0.04
    15   1     0.09  -0.12   0.23     0.02  -0.02   0.06    -0.01   0.06   0.01
    16   1    -0.00  -0.12  -0.38     0.00  -0.01   0.00     0.03   0.04   0.09
    17   1     0.02  -0.12   0.02    -0.36   0.01   0.10    -0.08   0.08   0.00
    18   1     0.18  -0.03  -0.03    -0.18   0.02  -0.06    -0.19   0.01   0.03
    19   1    -0.26  -0.13   0.12     0.18   0.03  -0.18     0.14   0.06  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1169.7343              1210.9398              1241.3933
 Red. masses --      1.8268                 1.9872                 1.8436
 Frc consts  --      1.4727                 1.7169                 1.6739
 IR Inten    --      3.4251                 0.3525                 9.5964
 RamAct Fr= 1--      3.9336                 2.2200                 1.1656
  Dep-P Fr= 1--      0.5122                 0.5612                 0.5943
  Dep-U Fr= 1--      0.6774                 0.7189                 0.7456
 Alpha2 Fr= 1--      0.0183                 0.0080                 0.0034
 Beta2  Fr= 1--      0.4441                 0.2660                 0.1448
 AlphaG Fr= 1--     -0.0237                 0.0049                -0.0059
 Gamma2 Fr= 1--      0.3525                -0.5086                -0.0472
 Delta2 Fr= 1--      0.1397                 0.3655                 0.2068
 Raman1 Fr= 1--      15.734                  8.880                  4.662
 ROA1   Fr= 1--      38.312                -37.131                  2.089
 CID1   Fr= 1--       2.435                 -4.181                  0.448
 Raman2 Fr= 1--       5.329                  3.192                  1.738
 ROA2   Fr= 1--       7.343                -15.131                 -2.787
 CID2   Fr= 1--       1.378                 -4.740                 -1.603
 Raman3 Fr= 1--      10.658                  6.384                  3.476
 ROA3   Fr= 1--      38.312                -37.131                  2.089
 CID3   Fr= 1--       3.595                 -5.816                  0.601
 RC180  Fr= 1--       0.355                  0.438                  0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02    -0.08  -0.05  -0.08    -0.02   0.04   0.01
     2   6    -0.10  -0.10   0.10     0.17   0.04   0.10     0.04  -0.12  -0.03
     3   6    -0.01   0.12  -0.05    -0.05   0.11  -0.01     0.02   0.15   0.11
     4   6     0.01  -0.06   0.05    -0.01  -0.03   0.00    -0.02  -0.02  -0.02
     5   8    -0.01   0.03   0.01    -0.00   0.01   0.00    -0.02   0.03   0.03
     6   6     0.05   0.00  -0.05    -0.11  -0.05  -0.03    -0.02   0.08   0.00
     7   7     0.01  -0.07  -0.00     0.02  -0.05  -0.02    -0.00  -0.03  -0.08
     8   8    -0.00   0.01  -0.01     0.00   0.00  -0.00     0.02  -0.02  -0.02
     9   1     0.22   0.50  -0.10     0.01   0.26  -0.02     0.01  -0.25   0.17
    10   1    -0.03  -0.16   0.33     0.32  -0.03   0.22    -0.06  -0.04  -0.24
    11   1    -0.01  -0.11  -0.07    -0.00  -0.03  -0.02    -0.02  -0.28  -0.18
    12   1    -0.16  -0.32  -0.11    -0.09  -0.12   0.00     0.09   0.32   0.18
    13   1    -0.01   0.14  -0.06    -0.08  -0.05  -0.05    -0.20  -0.52  -0.01
    14   1    -0.09   0.01   0.09     0.15  -0.05  -0.35     0.11  -0.03   0.25
    15   1    -0.05  -0.06  -0.25     0.07   0.08   0.31     0.05  -0.15   0.06
    16   1    -0.10  -0.07   0.09     0.15   0.09  -0.23    -0.06  -0.08  -0.20
    17   1     0.05  -0.13   0.02     0.32   0.09  -0.12    -0.02  -0.11   0.03
    18   1     0.36   0.00  -0.14    -0.15  -0.06   0.29     0.13  -0.01  -0.03
    19   1    -0.12  -0.10   0.01    -0.13   0.08   0.24    -0.11  -0.07   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1277.7713              1340.2608              1368.8257
 Red. masses --      1.2840                 1.7933                 1.3765
 Frc consts  --      1.2352                 1.8980                 1.5196
 IR Inten    --      1.0357                26.3123                 2.4516
 RamAct Fr= 1--      8.1634                 3.6825                 4.9990
  Dep-P Fr= 1--      0.6089                 0.6140                 0.5926
  Dep-U Fr= 1--      0.7569                 0.7609                 0.7442
 Alpha2 Fr= 1--      0.0212                 0.0092                 0.0146
 Beta2  Fr= 1--      1.0298                 0.4670                 0.6200
 AlphaG Fr= 1--     -0.0014                 0.0138                 0.0503
 Gamma2 Fr= 1--     -1.9930                 1.6803                 0.0697
 Delta2 Fr= 1--     -1.3062                -0.2508                -0.2445
 Raman1 Fr= 1--      32.654                 14.730                 19.996
 ROA1   Fr= 1--    -233.131                153.286                 -1.132
 CID1   Fr= 1--      -7.140                 10.406                 -0.057
 Raman2 Fr= 1--      12.358                  5.604                  7.440
 ROA2   Fr= 1--     -37.383                 42.335                  3.629
 CID2   Fr= 1--      -3.025                  7.555                  0.488
 Raman3 Fr= 1--      24.716                 11.208                 14.881
 ROA3   Fr= 1--    -233.131                153.286                 -1.132
 CID3   Fr= 1--      -9.432                 13.677                 -0.076
 RC180  Fr= 1--       0.514                  0.522                  0.488
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.01     0.01   0.02   0.01     0.01  -0.06   0.00
     2   6     0.01  -0.01  -0.03    -0.01   0.00  -0.04    -0.14   0.05  -0.01
     3   6    -0.10   0.02  -0.01     0.09  -0.02   0.05     0.04   0.04   0.04
     4   6    -0.01  -0.07   0.03    -0.14  -0.15  -0.04     0.01   0.02   0.00
     5   8     0.03  -0.01  -0.03     0.06   0.02  -0.02    -0.01  -0.01   0.00
     6   6    -0.00   0.04   0.01    -0.00  -0.03   0.00     0.03  -0.02  -0.01
     7   7     0.01  -0.00   0.00    -0.01   0.01  -0.05    -0.01  -0.01  -0.03
     8   8    -0.02   0.04   0.02     0.00   0.04   0.03     0.00  -0.01  -0.00
     9   1     0.79  -0.08   0.02    -0.23   0.33  -0.00    -0.02   0.02   0.05
    10   1     0.17  -0.01  -0.29    -0.07  -0.06   0.38     0.86  -0.26   0.01
    11   1     0.03   0.37   0.22     0.06   0.55   0.35    -0.01  -0.08  -0.05
    12   1    -0.04  -0.03   0.01     0.10   0.25   0.09     0.05   0.10   0.03
    13   1    -0.02   0.04  -0.02    -0.07  -0.30   0.01    -0.03  -0.17   0.01
    14   1     0.03  -0.01   0.14    -0.03   0.00  -0.07    -0.12   0.03   0.02
    15   1     0.03  -0.05   0.03    -0.01   0.05   0.01    -0.01   0.07  -0.04
    16   1    -0.03  -0.03  -0.05     0.03   0.02   0.03    -0.04  -0.02   0.09
    17   1    -0.01   0.02  -0.00    -0.05  -0.03   0.02     0.04   0.16  -0.05
    18   1    -0.08  -0.00   0.01     0.03   0.02  -0.04    -0.10  -0.01  -0.04
    19   1     0.05   0.01  -0.04    -0.05  -0.05   0.00     0.15   0.09  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1376.7611              1402.9148              1416.8904
 Red. masses --      1.4342                 1.2664                 1.3358
 Frc consts  --      1.6017                 1.4686                 1.5800
 IR Inten    --      3.9149                 8.1929                 0.1693
 RamAct Fr= 1--      2.6678                 0.0906                 2.4742
  Dep-P Fr= 1--      0.7278                 0.7171                 0.5875
  Dep-U Fr= 1--      0.8425                 0.8352                 0.7402
 Alpha2 Fr= 1--      0.0010                 0.0001                 0.0075
 Beta2  Fr= 1--      0.3746                 0.0126                 0.3052
 AlphaG Fr= 1--     -0.0036                 0.0007                 0.0198
 Gamma2 Fr= 1--     -1.2811                -0.0690                 0.9426
 Delta2 Fr= 1--      0.3772                 0.0304                 0.1701
 Raman1 Fr= 1--      10.671                  0.362                  9.897
 ROA1   Fr= 1--    -110.910                 -5.650                 95.932
 CID1   Fr= 1--     -10.393                -15.596                  9.693
 Raman2 Fr= 1--       4.495                  0.151                  3.663
 ROA2   Fr= 1--     -33.763                 -1.898                 21.262
 CID2   Fr= 1--      -7.511                -12.548                  5.805
 Raman3 Fr= 1--       8.990                  0.303                  7.325
 ROA3   Fr= 1--    -110.910                 -5.650                 95.932
 CID3   Fr= 1--     -12.337                -18.673                 13.096
 RC180  Fr= 1--       0.685                  0.670                  0.480
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.03    -0.10  -0.01   0.06     0.05   0.00  -0.02
     2   6     0.02   0.02  -0.15     0.02   0.00  -0.05    -0.00   0.01  -0.00
     3   6    -0.04   0.02   0.03    -0.01   0.01   0.01    -0.04  -0.08   0.04
     4   6     0.04   0.05   0.01     0.00   0.00  -0.00     0.05   0.05   0.02
     5   8    -0.02  -0.01   0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.00
     6   6    -0.02  -0.05  -0.00     0.00  -0.00   0.08     0.02   0.01   0.08
     7   7     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.01  -0.05
     8   8    -0.00  -0.01  -0.01    -0.00   0.00   0.00    -0.01  -0.01  -0.00
     9   1     0.36  -0.14   0.06     0.06  -0.09   0.02     0.23   0.54  -0.03
    10   1    -0.06  -0.13   0.75    -0.03  -0.03   0.17    -0.06   0.04  -0.04
    11   1    -0.02  -0.15  -0.09    -0.00  -0.01  -0.00    -0.01  -0.12  -0.07
    12   1     0.00   0.02   0.01    -0.00  -0.00   0.00     0.05   0.23   0.12
    13   1    -0.03  -0.06  -0.00     0.00   0.01  -0.00    -0.09  -0.18  -0.03
    14   1     0.01  -0.06   0.02     0.02   0.08  -0.30    -0.04   0.13  -0.35
    15   1     0.05   0.13   0.20    -0.15  -0.04  -0.23    -0.16  -0.08  -0.29
    16   1     0.08   0.14   0.17     0.07  -0.10  -0.26     0.01  -0.18  -0.30
    17   1    -0.16  -0.04   0.05     0.41   0.11  -0.01    -0.17  -0.03   0.01
    18   1    -0.09   0.07  -0.08     0.41  -0.12  -0.28    -0.18   0.06   0.08
    19   1    -0.08  -0.13  -0.04     0.31   0.21  -0.31    -0.12  -0.10   0.10
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.1330              1488.0580              1497.4319
 Red. masses --      1.3186                 1.0412                 1.0499
 Frc consts  --      1.5846                 1.3584                 1.3871
 IR Inten    --     10.9243                 1.4656                 2.2556
 RamAct Fr= 1--      1.2104                 9.1693                 2.9787
  Dep-P Fr= 1--      0.6544                 0.7487                 0.7417
  Dep-U Fr= 1--      0.7911                 0.8563                 0.8517
 Alpha2 Fr= 1--      0.0021                 0.0002                 0.0004
 Beta2  Fr= 1--      0.1596                 1.3086                 0.4228
 AlphaG Fr= 1--      0.0049                -0.0027                 0.0035
 Gamma2 Fr= 1--     -0.6124                 0.3330                -0.0374
 Delta2 Fr= 1--      0.1138                -0.3581                 0.2170
 Raman1 Fr= 1--       4.842                 36.677                 11.915
 ROA1   Fr= 1--     -55.152                 20.507                  3.356
 CID1   Fr= 1--     -11.391                  0.559                  0.282
 Raman2 Fr= 1--       1.915                 15.704                  5.074
 ROA2   Fr= 1--     -15.609                 10.857                 -2.634
 CID2   Fr= 1--      -8.150                  0.691                 -0.519
 Raman3 Fr= 1--       3.830                 31.407                 10.148
 ROA3   Fr= 1--     -55.152                 20.507                  3.356
 CID3   Fr= 1--     -14.399                  0.653                  0.331
 RC180  Fr= 1--       0.582                  0.713                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01   0.02     0.01  -0.04  -0.01    -0.01   0.00  -0.04
     2   6     0.01   0.01   0.02     0.01  -0.00  -0.02     0.00  -0.01  -0.03
     3   6    -0.03  -0.09   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.03   0.04   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   8    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.01  -0.01  -0.09     0.00   0.03  -0.00     0.02  -0.02   0.01
     7   7     0.00   0.01  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1     0.12   0.52  -0.04     0.02  -0.03   0.00     0.03  -0.04   0.01
    10   1    -0.11   0.07  -0.09    -0.05  -0.01   0.08    -0.03  -0.02   0.03
    11   1    -0.01  -0.07  -0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.06   0.20   0.09    -0.00  -0.01  -0.01    -0.00   0.01   0.01
    13   1    -0.08  -0.16  -0.02     0.01   0.01   0.00    -0.00   0.02  -0.00
    14   1     0.01  -0.11   0.33     0.10   0.04  -0.23    -0.35   0.09   0.12
    15   1     0.17   0.05   0.29     0.13  -0.39   0.11    -0.02   0.36   0.05
    16   1    -0.06   0.15   0.30    -0.26  -0.14   0.19     0.04  -0.10  -0.20
    17   1     0.22   0.06  -0.02    -0.30   0.42  -0.07    -0.32  -0.18   0.03
    18   1     0.26  -0.09  -0.09     0.23  -0.07  -0.17     0.33  -0.16   0.41
    19   1     0.18   0.17  -0.12    -0.00   0.26   0.44     0.20   0.38   0.20
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6994              1516.2041              1674.8605
 Red. masses --      1.0433                 1.0564                 1.0875
 Frc consts  --      1.3954                 1.4308                 1.7974
 IR Inten    --      8.9641                 6.9553                32.7693
 RamAct Fr= 1--      3.9641                 4.4853                 2.5034
  Dep-P Fr= 1--      0.7476                 0.7500                 0.5867
  Dep-U Fr= 1--      0.8556                 0.8571                 0.7396
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0076
 Beta2  Fr= 1--      0.5652                 0.6408                 0.3086
 AlphaG Fr= 1--      0.0016                 0.0000                -0.0024
 Gamma2 Fr= 1--     -0.7174                -0.3998                -0.2037
 Delta2 Fr= 1--      0.1937                -0.2259                 0.0794
 Raman1 Fr= 1--      15.856                 17.941                 10.014
 ROA1   Fr= 1--     -62.670                -45.612                -17.017
 CID1   Fr= 1--      -3.952                 -2.542                 -1.699
 Raman2 Fr= 1--       6.783                  7.689                  3.703
 ROA2   Fr= 1--     -18.766                 -7.788                 -5.525
 CID2   Fr= 1--      -2.767                 -1.013                 -1.492
 Raman3 Fr= 1--      13.566                 15.378                  7.406
 ROA3   Fr= 1--     -62.670                -45.612                -17.017
 CID3   Fr= 1--      -4.620                 -2.966                 -2.298
 RC180  Fr= 1--       0.711                  0.714                  0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.00   0.01  -0.03    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.01    -0.04   0.02  -0.02    -0.01  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.01   0.00     0.03   0.00  -0.01
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.03  -0.03   0.01    -0.03   0.01   0.01    -0.00   0.00  -0.00
     7   7    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.02  -0.07  -0.01
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1     0.01   0.03  -0.00     0.01   0.01   0.00    -0.03  -0.04  -0.00
    10   1    -0.03  -0.01  -0.06     0.07  -0.02   0.03     0.03  -0.02   0.02
    11   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.01   0.00  -0.01     0.01  -0.01  -0.03    -0.16   0.40   0.53
    13   1    -0.01  -0.02   0.00     0.01  -0.04   0.01    -0.27   0.62  -0.25
    14   1     0.23  -0.16   0.26     0.52  -0.16  -0.08     0.04  -0.02   0.01
    15   1    -0.22   0.27  -0.28    -0.08  -0.35  -0.22    -0.00  -0.02  -0.01
    16   1     0.43   0.35  -0.14     0.12   0.26   0.21     0.01   0.03   0.02
    17   1    -0.14   0.36  -0.06    -0.11  -0.34   0.06    -0.00  -0.00   0.00
    18   1     0.08  -0.00  -0.25     0.12  -0.08   0.41     0.00  -0.00   0.00
    19   1    -0.07   0.07   0.28     0.17   0.17  -0.08     0.00   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1804.6923              3030.9745              3035.2467
 Red. masses --      9.8723                 1.0370                 1.0362
 Frc consts  --     18.9441                 5.6128                 5.6244
 IR Inten    --    274.2981                35.6448                13.5474
 RamAct Fr= 1--     13.8375                21.0985               273.3274
  Dep-P Fr= 1--      0.1702                 0.2604                 0.0080
  Dep-U Fr= 1--      0.2910                 0.4132                 0.0159
 Alpha2 Fr= 1--      0.2031                 0.2428                 5.9616
 Beta2  Fr= 1--      0.6710                 1.4529                 0.7224
 AlphaG Fr= 1--     -0.0298                -0.0011                -0.3372
 Gamma2 Fr= 1--     -0.5731                -1.4583                 0.2166
 Delta2 Fr= 1--      0.0036                -0.8081                 0.1888
 Raman1 Fr= 1--      55.350                 84.394               1093.310
 ROA1   Fr= 1--     -54.906               -165.861                 26.836
 CID1   Fr= 1--      -0.992                 -1.965                  0.025
 Raman2 Fr= 1--       8.052                 17.435                  8.669
 ROA2   Fr= 1--     -13.784                -28.535                  3.687
 CID2   Fr= 1--      -1.712                 -1.637                  0.425
 Raman3 Fr= 1--      16.105                 34.870                 17.338
 ROA3   Fr= 1--     -54.906               -165.861                 26.836
 CID3   Fr= 1--      -3.409                 -4.757                  1.548
 RC180  Fr= 1--      -0.418                 -0.174                 -0.968
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.00  -0.03     0.02  -0.00  -0.02
     2   6     0.01  -0.01   0.00     0.00   0.01   0.00     0.00   0.01   0.00
     3   6     0.04   0.00  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.01
     4   6    -0.45   0.30   0.47     0.00   0.00   0.00    -0.00   0.00   0.00
     5   8     0.03  -0.03  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.02     0.00   0.01   0.04
     7   7    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   8     0.26  -0.22  -0.30     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   1     0.19   0.03  -0.02     0.00  -0.00  -0.01     0.00  -0.01  -0.06
    10   1     0.01  -0.00  -0.00    -0.05  -0.16  -0.03    -0.02  -0.07  -0.01
    11   1     0.03   0.40   0.25     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1    -0.03  -0.00   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1    -0.05  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.00   0.00     0.11   0.30   0.07    -0.16  -0.46  -0.10
    15   1    -0.02   0.03  -0.01    -0.26  -0.05   0.13     0.46   0.08  -0.24
    16   1     0.02  -0.00  -0.04     0.18  -0.18   0.09    -0.30   0.30  -0.15
    17   1     0.00   0.01  -0.00     0.05   0.10   0.55     0.03   0.06   0.35
    18   1    -0.01   0.00  -0.00    -0.10  -0.35  -0.05    -0.06  -0.21  -0.03
    19   1    -0.02  -0.01   0.02    -0.35   0.30  -0.20    -0.20   0.18  -0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3039.6347              3056.3575              3089.1132
 Red. masses --      1.0816                 1.0838                 1.1015
 Frc consts  --      5.8876                 5.9651                 6.1929
 IR Inten    --      8.0484                14.3934                29.9894
 RamAct Fr= 1--     97.9411               111.0236                68.7647
  Dep-P Fr= 1--      0.3025                 0.0989                 0.7447
  Dep-U Fr= 1--      0.4644                 0.1800                 0.8537
 Alpha2 Fr= 1--      0.9972                 1.9490                 0.0062
 Beta2  Fr= 1--      7.5813                 3.3311                 9.7837
 AlphaG Fr= 1--     -0.0039                -0.0306                -0.0181
 Gamma2 Fr= 1--      0.9825                -3.8996                 0.1725
 Delta2 Fr= 1--      1.9833                -4.1397                 0.6932
 Raman1 Fr= 1--     391.765                444.094                275.059
 ROA1   Fr= 1--     157.785               -506.832                 38.740
 CID1   Fr= 1--       0.403                 -1.141                  0.141
 Raman2 Fr= 1--      90.975                 39.973                117.405
 ROA2   Fr= 1--       7.713                -60.472                 -1.406
 CID2   Fr= 1--       0.085                 -1.513                 -0.012
 Raman3 Fr= 1--     181.951                 79.946                234.809
 ROA3   Fr= 1--     157.785               -506.832                 38.740
 CID3   Fr= 1--       0.867                 -6.340                  0.165
 RC180  Fr= 1--      -0.071                 -0.640                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00     0.01   0.00   0.00    -0.05   0.02  -0.08
     2   6    -0.02  -0.07  -0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.02     0.00  -0.01  -0.08     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.01  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
     7   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.01  -0.03  -0.19    -0.02   0.13   0.96     0.00   0.01   0.06
    10   1     0.27   0.88   0.18     0.05   0.16   0.03     0.01   0.03   0.01
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.03  -0.10  -0.02    -0.02  -0.06  -0.01     0.01   0.01   0.00
    15   1    -0.08  -0.01   0.04     0.02   0.00  -0.01    -0.10  -0.02   0.06
    16   1     0.07  -0.06   0.03     0.01  -0.01   0.00    -0.08   0.08  -0.04
    17   1     0.01   0.02   0.08    -0.00   0.00   0.00     0.04   0.13   0.66
    18   1    -0.05  -0.19  -0.03    -0.02  -0.07  -0.01     0.01   0.09  -0.01
    19   1    -0.05   0.05  -0.03    -0.05   0.04  -0.03     0.49  -0.43   0.26
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3096.5835              3097.4476              3112.4266
 Red. masses --      1.1017                 1.1013                 1.1005
 Frc consts  --      6.2241                 6.2253                 6.2812
 IR Inten    --     30.1139                20.5848                25.4108
 RamAct Fr= 1--     61.0722                50.4866                46.2455
  Dep-P Fr= 1--      0.7366                 0.5527                 0.7134
  Dep-U Fr= 1--      0.8483                 0.7119                 0.8327
 Alpha2 Fr= 1--      0.0140                 0.1901                 0.0293
 Beta2  Fr= 1--      8.6346                 5.9906                 6.4184
 AlphaG Fr= 1--      0.0568                -0.0983                -0.0712
 Gamma2 Fr= 1--    -10.6171                13.1579                -3.5411
 Delta2 Fr= 1--     -4.3198                 9.4225                -3.5292
 Raman1 Fr= 1--     244.289                201.947                184.982
 ROA1   Fr= 1--   -1157.474               1564.677               -452.884
 CID1   Fr= 1--      -4.738                  7.748                 -2.448
 Raman2 Fr= 1--     103.616                 71.887                 77.020
 ROA2   Fr= 1--    -220.251                240.409                -56.754
 CID2   Fr= 1--      -2.126                  3.344                 -0.737
 Raman3 Fr= 1--     207.231                143.774                154.041
 ROA3   Fr= 1--   -1157.474               1564.677               -452.884
 CID3   Fr= 1--      -5.585                 10.883                 -2.940
 RC180  Fr= 1--       0.697                  0.424                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01     0.00   0.02   0.01    -0.00  -0.09  -0.02
     2   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.09  -0.01   0.01     0.01  -0.09   0.01    -0.00  -0.02   0.00
     7   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.00   0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.02
    10   1     0.02   0.06   0.01     0.04   0.12   0.03     0.05   0.15   0.03
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.10   0.34   0.08     0.23   0.62   0.16     0.05   0.13   0.03
    15   1     0.67   0.12  -0.36     0.08  -0.01  -0.04     0.03   0.00  -0.02
    16   1     0.30  -0.33   0.18    -0.45   0.43  -0.24    -0.07   0.07  -0.04
    17   1     0.01   0.02   0.08    -0.01  -0.01  -0.10     0.02   0.03   0.25
    18   1    -0.01  -0.01  -0.01    -0.05  -0.18  -0.02     0.25   0.81   0.11
    19   1     0.09  -0.08   0.04     0.00  -0.00   0.01    -0.26   0.21  -0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3496.2800              3564.7211              3720.2841
 Red. masses --      1.0496                 1.0918                 1.0641
 Frc consts  --      7.5594                 8.1745                 8.6773
 IR Inten    --      2.3051                 5.7715                56.4598
 RamAct Fr= 1--     94.0712                47.7490               112.5760
  Dep-P Fr= 1--      0.0799                 0.6035                 0.2281
  Dep-U Fr= 1--      0.1481                 0.7527                 0.3715
 Alpha2 Fr= 1--      1.7294                 0.1293                 1.4173
 Beta2  Fr= 1--      2.3213                 5.9901                 6.9709
 AlphaG Fr= 1--      0.1338                 0.1204                -0.0493
 Gamma2 Fr= 1--      0.3414                 0.0232                -1.9673
 Delta2 Fr= 1--     -0.3078                 0.9836                -0.4631
 Raman1 Fr= 1--     376.285                190.996                450.304
 ROA1   Fr= 1--      22.926                 33.703               -203.682
 CID1   Fr= 1--       0.061                  0.176                 -0.452
 Raman2 Fr= 1--      27.856                 71.881                 83.650
 ROA2   Fr= 1--      10.657                 -7.311                -43.511
 CID2   Fr= 1--       0.383                 -0.102                 -0.520
 Raman3 Fr= 1--      55.711                143.762                167.301
 ROA3   Fr= 1--      22.926                 33.703               -203.682
 CID3   Fr= 1--       0.412                  0.234                 -1.217
 RC180  Fr= 1--      -0.704                  0.505                 -0.257
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   7     0.03  -0.04  -0.02    -0.01   0.02  -0.08    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.01     0.00   0.00   0.02     0.00   0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.89   0.25  -0.38
    12   1    -0.30   0.37  -0.42     0.40  -0.46   0.48     0.00  -0.00   0.00
    13   1    -0.20   0.17   0.73    -0.19   0.15   0.58    -0.00  -0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   614.082141259.071801357.05588
           X            0.99993  -0.00953   0.00661
           Y            0.00999   0.99727  -0.07313
           Z           -0.00589   0.07319   0.99730
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14105     0.06879     0.06382
 Rotational constants (GHZ):           2.93892     1.43339     1.32989
 Zero-point vibrational energy     431224.1 (Joules/Mol)
                                  103.06504 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     74.99   119.19   254.89   266.74   313.46
          (Kelvin)            369.33   373.23   422.14   493.08   569.82
                              634.00   821.09   876.84   944.55  1032.28
                             1205.26  1215.23  1310.97  1354.03  1381.26
                             1407.31  1548.16  1577.52  1627.00  1682.99
                             1742.27  1786.09  1838.43  1928.34  1969.43
                             1980.85  2018.48  2038.59  2054.76  2140.98
                             2154.47  2167.80  2181.48  2409.75  2596.55
                             4360.90  4367.04  4373.36  4397.42  4444.54
                             4455.29  4456.54  4478.09  5030.37  5128.84
                             5352.66
 
 Zero-point correction=                           0.164245 (Hartree/Particle)
 Thermal correction to Energy=                    0.173815
 Thermal correction to Enthalpy=                  0.174759
 Thermal correction to Gibbs Free Energy=         0.129854
 Sum of electronic and zero-point Energies=           -402.407378
 Sum of electronic and thermal Energies=              -402.397808
 Sum of electronic and thermal Enthalpies=            -402.396864
 Sum of electronic and thermal Free Energies=         -402.441769
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.070             34.449             94.510
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.441
 Vibrational            107.293             28.488             25.880
 Vibration     1          0.596              1.977              4.735
 Vibration     2          0.600              1.961              3.822
 Vibration     3          0.628              1.870              2.358
 Vibration     4          0.631              1.860              2.273
 Vibration     5          0.646              1.814              1.977
 Vibration     6          0.666              1.751              1.684
 Vibration     7          0.668              1.747              1.666
 Vibration     8          0.688              1.686              1.454
 Vibration     9          0.722              1.590              1.200
 Vibration    10          0.763              1.479              0.977
 Vibration    11          0.801              1.381              0.825
 Vibration    12          0.927              1.095              0.503
 Vibration    13          0.968              1.012              0.434
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.186724D-59        -59.728799       -137.530643
 Total V=0       0.658268D+16         15.818403         36.423218
 Vib (Bot)       0.102269D-72        -72.990255       -168.066272
 Vib (Bot)    1  0.396530D+01          0.598276          1.377581
 Vib (Bot)    2  0.248490D+01          0.395308          0.910231
 Vib (Bot)    3  0.113482D+01          0.054927          0.126475
 Vib (Bot)    4  0.108132D+01          0.033953          0.078180
 Vib (Bot)    5  0.908739D+00         -0.041561         -0.095697
 Vib (Bot)    6  0.757890D+00         -0.120394         -0.277218
 Vib (Bot)    7  0.748970D+00         -0.125536         -0.289057
 Vib (Bot)    8  0.650559D+00         -0.186713         -0.429923
 Vib (Bot)    9  0.540883D+00         -0.266897         -0.614553
 Vib (Bot)   10  0.451343D+00         -0.345494         -0.795529
 Vib (Bot)   11  0.392099D+00         -0.406604         -0.936241
 Vib (Bot)   12  0.269502D+00         -0.569438         -1.311180
 Vib (Bot)   13  0.242632D+00         -0.615052         -1.416210
 Vib (V=0)       0.360535D+03          2.556947          5.887589
 Vib (V=0)    1  0.449670D+01          0.652894          1.503343
 Vib (V=0)    2  0.303470D+01          0.482116          1.110113
 Vib (V=0)    3  0.174009D+01          0.240571          0.553936
 Vib (V=0)    4  0.169132D+01          0.228226          0.525510
 Vib (V=0)    5  0.153721D+01          0.186733          0.429970
 Vib (V=0)    6  0.140796D+01          0.148591          0.342144
 Vib (V=0)    7  0.140053D+01          0.146293          0.336851
 Vib (V=0)    8  0.132050D+01          0.120740          0.278014
 Vib (V=0)    9  0.123658D+01          0.092223          0.212352
 Vib (V=0)   10  0.117358D+01          0.069513          0.160059
 Vib (V=0)   11  0.113541D+01          0.055151          0.126991
 Vib (V=0)   12  0.106801D+01          0.028574          0.065794
 Vib (V=0)   13  0.105576D+01          0.023566          0.054262
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.366676D+06          5.564283         12.812235
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1   1  1111111111 111 1111                                    
     7     5 4        10000000                                         8   6  5544444333 222 1100 9999 88   7 6 65   4 33222211      
     2     6 9        19985433                                         0   7  1098210764 741 7397 7641 43   1 5 07   4 94955187   85 
     0     5 6        27796051                                         5   5  6778873790 811 0166 8011 58   7 6 91   1 63397857   32 
 
     X     X X        XXXXXXXX                                         X   X  XXXXXXXXXX XXX XXXX XXXX XX   X X XX   X XXXXXXXX   XX 
     X                XXXX   X                                         X   X           X      X      X X    X X XX           X       
     X                       X                                         X                      X      X X        XX           X       
     X                                                                 X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
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                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000012529    0.000000199    0.000009767
      2        6          -0.000006492   -0.000002596   -0.000000510
      3        6          -0.000003156   -0.000000198   -0.000007929
      4        6          -0.000005821    0.000007975    0.000010555
      5        8           0.000003575    0.000001431   -0.000002015
      6        6           0.000002003   -0.000004070    0.000001705
      7        7          -0.000004159   -0.000001815    0.000002841
      8        8           0.000004452   -0.000001923   -0.000005583
      9        1          -0.000000600    0.000004108   -0.000001004
     10        1           0.000002080    0.000002478    0.000000747
     11        1           0.000000929    0.000001220   -0.000001207
     12        1          -0.000001816   -0.000000670    0.000001025
     13        1          -0.000001292   -0.000002610    0.000001469
     14        1          -0.000000058   -0.000001009   -0.000002250
     15        1           0.000001314   -0.000001223   -0.000002551
     16        1           0.000000968   -0.000001639   -0.000000352
     17        1           0.000000075    0.000005138   -0.000000645
     18        1          -0.000002436   -0.000001938   -0.000001968
     19        1          -0.000002095   -0.000002856   -0.000002092
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012529 RMS     0.000003826
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.863323D+02 -0.218150D+00 -0.260076D+01
      2  -0.218150D+00  0.760961D+02  0.185010D+01
      3  -0.260076D+01  0.185010D+01  0.736975D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.177674D+01  0.101010D+01 -0.148559D+00
      2   0.543960D+01 -0.616331D+01  0.330715D+02
      3   0.646214D+01 -0.256405D+02  0.701569D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.698759D+02 -0.238515D+02  0.522955D+01
      2  -0.388229D+02  0.226857D+02 -0.115406D+02
      3  -0.310530D+02  0.116588D+01  0.631110D+01
      4  -0.234921D+02  0.398987D+02 -0.165872D+02
      5   0.123702D+02 -0.187811D+02  0.646747D+02
      6  -0.477983D+01  0.157833D+00 -0.620312D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.102143D+00  0.223633D+01 -0.366091D+01  0.354785D+01 -0.401962D+01
      2   0.223633D+01 -0.335432D+01  0.682589D+00 -0.401962D+01 -0.319583D+01
      3  -0.366091D+01  0.682589D+00  0.118200D+01  0.506118D+00 -0.118673D+01
                 6             7             8             9            10 
      1   0.506118D+00 -0.489732D+01  0.949802D+00  0.813651D-01  0.187504D+01
      2  -0.118673D+01  0.949802D+00 -0.132213D+01  0.154327D+01 -0.207309D+01
      3   0.176632D+01  0.813651D-01  0.154327D+01  0.693155D+01  0.394041D+01
                11            12            13            14            15 
      1  -0.207309D+01  0.394041D+01 -0.538372D+01  0.420882D+01 -0.104455D+00
      2   0.407804D+01 -0.204973D+00  0.420882D+01  0.465269D+01  0.219735D+01
      3  -0.204973D+00 -0.872070D+00 -0.104455D+00  0.219735D+01 -0.688626D+00
                16            17            18            19            20 
      1   0.618229D+01 -0.519317D+00 -0.482313D+00 -0.259904D+01  0.532515D+01
      2  -0.519317D+00  0.245205D+01 -0.263298D+00  0.532515D+01 -0.914523D+00
      3  -0.482313D+00 -0.263298D+00 -0.532211D+01 -0.149254D+01  0.164616D+00
                21            22            23            24            25 
      1  -0.149254D+01  0.583922D+01 -0.124599D+01  0.397764D+00 -0.361749D+01
      2   0.164616D+00 -0.124599D+01 -0.927832D+00 -0.925261D+00 -0.564846D-01
      3  -0.271214D+00  0.397764D+00 -0.925261D+00  0.160208D+01 -0.616079D+00
                26            27            28            29            30 
      1  -0.564846D-01 -0.616079D+00  0.615464D+00 -0.364676D+01 -0.589942D+00
      2  -0.165433D+01  0.124025D+01 -0.364676D+01  0.830223D+00  0.140169D+01
      3   0.124025D+01  0.621856D+01 -0.589942D+00  0.140169D+01  0.811655D+00
                31            32            33            34            35 
      1  -0.317244D+01 -0.214388D+00  0.153202D+01 -0.345645D+01  0.173965D+01
      2  -0.214388D+00 -0.875035D+00  0.400215D+00  0.173965D+01 -0.100420D+00
      3   0.153202D+01  0.400215D+00 -0.135325D+01  0.118797D+01 -0.119259D+01
                36            37            38            39            40 
      1   0.118797D+01  0.492195D+01  0.156715D+01 -0.160567D+01  0.296571D+00
      2  -0.119259D+01  0.156715D+01  0.153399D+01 -0.649914D+00  0.219741D+00
      3  -0.261625D+01 -0.160567D+01 -0.649914D+00  0.382319D+00 -0.963582D+00
                41            42            43            44            45 
      1   0.219741D+00 -0.963582D+00 -0.290628D+01 -0.163794D+01 -0.748993D+00
      2  -0.386510D+01 -0.152226D+01 -0.163794D+01 -0.221086D+01 -0.152100D+01
      3  -0.152226D+01 -0.778666D+00 -0.748993D+00 -0.152100D+01 -0.240076D+01
                46            47            48            49            50 
      1   0.111488D+01  0.248494D+01 -0.461395D+01  0.272123D+01 -0.377054D+01
      2   0.248494D+01 -0.350761D+01  0.527186D+00 -0.377054D+01 -0.251831D+01
      3  -0.461395D+01  0.527186D+00  0.734287D+00  0.586407D+00 -0.315399D+01
                51            52            53            54            55 
      1   0.586407D+00 -0.386600D+01  0.255121D+00  0.827301D+00  0.185200D+01
      2  -0.315399D+01  0.255121D+00 -0.249167D+01  0.581984D+00 -0.112065D+01
      3   0.142122D+01  0.827301D+00  0.581984D+00  0.340215D+01  0.874001D+00
                56            57            58            59            60 
      1  -0.112065D+01  0.874001D+00 -0.958838D+00  0.267729D+01 -0.801073D+00
      2   0.418734D+01 -0.809176D+00  0.267729D+01  0.168891D+01  0.904183D+00
      3  -0.809176D+00  0.252866D+01 -0.801073D+00  0.904183D+00 -0.179578D+01
                61            62            63            64            65 
      1   0.119714D+01 -0.121548D+01  0.250844D+01 -0.692538D+01  0.249430D+01
      2  -0.121548D+01  0.105539D+01 -0.165360D+01  0.249430D+01 -0.246457D+01
      3   0.250844D+01 -0.165360D+01 -0.229909D+01  0.278332D+01 -0.117712D+01
                66            67            68            69            70 
      1   0.278332D+01  0.362154D+01 -0.222833D+01 -0.924074D+00  0.541909D+01
      2  -0.117712D+01 -0.222833D+01  0.433921D+01  0.177598D+01 -0.966148D+00
      3  -0.203198D+01 -0.924074D+00  0.177598D+01  0.179432D+01 -0.275993D+01
                71            72            73            74            75 
      1  -0.966148D+00 -0.275993D+01  0.509082D+00 -0.757410D+00 -0.110829D+01
      2   0.237892D+01  0.208648D+01 -0.757410D+00  0.258908D+00 -0.395810D-01
      3   0.208648D+01  0.555928D+01 -0.110829D+01 -0.395810D-01  0.690274D-01
                76            77            78            79            80 
      1  -0.136915D+01  0.288914D+00  0.413114D-02 -0.131314D+01  0.634869D-02
      2   0.288914D+00  0.647287D-01 -0.114251D+01  0.634869D-02 -0.121333D+01
      3   0.413114D-02 -0.114251D+01 -0.618084D+00  0.582254D-02 -0.295228D+00
                81            82            83            84            85 
      1   0.582254D-02 -0.151077D+01 -0.118802D+01 -0.889081D+00 -0.118023D+01
      2  -0.295228D+00 -0.118802D+01 -0.147017D+01 -0.267684D-01 -0.140692D+01
      3  -0.854945D+01 -0.889081D+00 -0.267684D-01 -0.271832D+00 -0.472798D-01
                86            87            88            89            90 
      1  -0.140692D+01 -0.472798D-01 -0.116307D+01 -0.833080D-01 -0.166343D+00
      2  -0.761552D+01 -0.118116D+01 -0.833080D-01 -0.114062D+01 -0.135285D+01
      3  -0.118116D+01 -0.140750D+01 -0.166343D+00 -0.135285D+01 -0.146075D+00
                91            92            93            94            95 
      1  -0.718351D+01 -0.368967D+01  0.360234D+00 -0.201885D+01 -0.177446D+01
      2  -0.368967D+01 -0.309527D+01  0.923407D-01 -0.177446D+01 -0.227175D+01
      3   0.360234D+00  0.923407D-01 -0.103233D+01  0.165772D+00  0.300928D-01
                96            97            98            99           100 
      1   0.165772D+00  0.230679D+01  0.130435D+01 -0.968291D+00 -0.107225D+01
      2   0.300928D-01  0.130435D+01  0.105309D+01 -0.589951D+00  0.183400D+01
      3  -0.530612D+00 -0.968291D+00 -0.589951D+00  0.328169D+00 -0.106133D+01
               101           102           103           104           105 
      1   0.183400D+01 -0.106133D+01  0.160695D+01 -0.211409D+01  0.982746D+00
      2  -0.271788D+01  0.130156D+01 -0.211409D+01  0.488654D+01 -0.198787D+01
      3   0.130156D+01 -0.119667D+01  0.982746D+00 -0.198787D+01  0.165322D+01
               106           107           108           109           110 
      1  -0.164760D+01  0.142015D+01 -0.136518D+01 -0.109022D+00  0.543889D+00
      2   0.142015D+01 -0.312504D+01  0.224516D+01  0.543889D+00 -0.707601D+00
      3  -0.136518D+01  0.224516D+01 -0.233976D+01  0.327868D+00 -0.530535D+00
               111           112           113           114           115 
      1   0.327868D+00  0.554693D+00 -0.340870D+00 -0.469603D+00  0.124102D+01
      2  -0.530535D+00 -0.340870D+00  0.149119D+01  0.108242D+01 -0.399708D+00
      3  -0.884692D+00 -0.469603D+00  0.108242D+01  0.113218D+01 -0.724368D+00
               116           117           118           119           120 
      1  -0.399708D+00 -0.724368D+00  0.124308D+01  0.104394D+01  0.114612D+01
      2   0.241272D+01  0.153846D+01  0.104394D+01  0.156202D+01  0.597498D+00
      3   0.153846D+01  0.435030D+01  0.114612D+01  0.597498D+00  0.872595D+00
               121           122           123           124           125 
      1   0.155441D+01  0.155331D+01  0.859901D+00  0.782299D+00  0.475427D+00
      2   0.155331D+01  0.530312D+01  0.185924D+01  0.475427D+00  0.127666D+01
      3   0.859901D+00  0.185924D+01  0.263534D+01  0.432957D+00  0.139114D+01
               126           127           128           129           130 
      1   0.432957D+00 -0.527617D+01 -0.789620D+00  0.240200D+01 -0.794077D+00
      2   0.139114D+01 -0.789620D+00 -0.808372D+00  0.586049D+00 -0.513882D+00
      3   0.115845D+01  0.240200D+01  0.586049D+00 -0.341892D+01  0.362765D+00
               131           132           133           134           135 
      1  -0.513882D+00  0.362765D+00  0.190909D+01  0.362879D+00 -0.222652D+01
      2  -0.412897D+00  0.113695D+01  0.362879D+00  0.837934D+00 -0.596575D+00
      3   0.113695D+01 -0.843596D+00 -0.222652D+01 -0.596575D+00  0.312146D+01
               136           137           138           139           140 
      1   0.390275D+01 -0.239512D+01  0.260446D+01 -0.267055D+01  0.255433D+01
      2  -0.239512D+01  0.235641D+01 -0.132756D+01  0.255433D+01 -0.326617D+01
      3   0.260446D+01 -0.132756D+01  0.231378D+01 -0.147852D+01  0.229752D+01
               141           142           143           144           145 
      1  -0.147852D+01  0.161828D+01 -0.947295D+00  0.164775D+01  0.569521D-01
      2   0.229752D+01 -0.947295D+00  0.150388D+01 -0.167430D+01 -0.370072D+00
      3  -0.254906D+01  0.164775D+01 -0.167430D+01  0.230723D+01 -0.838043D+00
               146           147           148           149           150 
      1  -0.370072D+00 -0.838043D+00 -0.758214D+00  0.703216D+00  0.184873D+00
      2   0.206380D+00 -0.150043D-02  0.703216D+00 -0.376717D+00 -0.123587D+01
      3  -0.150043D-02 -0.166740D+00  0.184873D+00 -0.123587D+01 -0.137210D+01
               151           152           153           154           155 
      1  -0.165317D+01  0.207485D+00  0.166797D+01  0.182273D+01  0.146208D+01
      2   0.207485D+00 -0.123386D+01 -0.120250D+01  0.146208D+01  0.172458D+01
      3   0.166797D+01 -0.120250D+01 -0.960530D+01  0.309358D+00 -0.137708D+00
               156           157           158           159           160 
      1   0.309358D+00  0.285425D+01  0.228281D+01 -0.446304D+00  0.920748D+00
      2  -0.137708D+00  0.228281D+01  0.562367D+01  0.704484D-02  0.388672D-01
      3   0.263574D+00 -0.446304D+00  0.704484D-02  0.118019D+01  0.518970D+00
               161           162           163           164           165 
      1   0.388672D-01  0.518970D+00  0.666008D+01 -0.296138D+01  0.111199D+01
      2   0.490330D+00  0.688206D+00 -0.296138D+01  0.230242D+01 -0.448676D+00
      3   0.688206D+00 -0.537113D+00  0.111199D+01 -0.448676D+00  0.988540D+00
               166           167           168           169           170 
      1  -0.429066D+01  0.314065D+01 -0.347612D+00  0.294377D+01 -0.934407D+00
      2   0.314065D+01 -0.272491D+01  0.644655D+00 -0.934407D+00  0.103128D+01
      3  -0.347612D+00  0.644655D+00 -0.124760D+01  0.117948D+01 -0.973053D+00
               171 
      1   0.117948D+01
      2  -0.973053D+00
      3   0.438761D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.364056D+01  0.313146D+01 -0.112230D+00  0.420444D+01  0.233000D+01
      2  -0.100442D+02  0.391163D+01  0.141254D+01  0.469900D+01 -0.667593D+01
      3  -0.594841D+01  0.627734D+01 -0.224592D+00  0.143854D+02  0.112835D+02
                 6             7             8             9            10 
      1  -0.963873D+00  0.416728D+00  0.312703D+01  0.158814D+00  0.387063D+01
      2   0.522079D+01 -0.856166D+01  0.525802D+01  0.205183D+02  0.754986D+01
      3   0.163579D+01 -0.149347D+01  0.317540D+01 -0.472032D+01  0.156855D+01
                11            12            13            14            15 
      1  -0.602258D+00 -0.274915D+00 -0.659889D+00  0.291964D+01 -0.498523D+01
      2  -0.154849D+01  0.367154D+01 -0.469710D+01  0.295327D+01 -0.114211D+01
      3  -0.569818D+01 -0.139400D+01  0.707593D+00 -0.109562D+02 -0.253499D+01
                16            17            18            19            20 
      1  -0.149432D+01  0.217171D+01 -0.268228D+01 -0.480736D+01  0.125641D+00
      2  -0.307548D+01 -0.724853D-01 -0.528709D+01 -0.146365D+01  0.192965D+01
      3  -0.648833D-01 -0.225012D+01  0.107532D+01  0.449433D+01 -0.421157D+01
                21            22            23            24            25 
      1  -0.125101D+01  0.503997D+00  0.205416D+01  0.364109D+00 -0.103430D+01
      2   0.218941D+01  0.516839D+01 -0.178986D+01  0.149035D+01 -0.828718D+01
      3   0.145433D+01  0.268095D+01  0.830290D+00  0.903785D+00 -0.171288D+01
                26            27            28            29            30 
      1   0.484555D+01 -0.282632D+01  0.293893D+01  0.336745D+01  0.977154D+00
      2  -0.148583D+00 -0.202035D+01 -0.751172D+01 -0.206887D+01 -0.540781D+01
      3   0.704367D+00 -0.465613D-01 -0.775272D+01  0.251384D+01 -0.188219D+01
                31            32            33            34            35 
      1   0.839943D+00 -0.731805D+01  0.453704D+00  0.146979D+01  0.357015D+01
      2   0.327400D+01  0.275514D+01  0.436651D+00 -0.124214D+02 -0.673703D+00
      3   0.437376D+01  0.204959D+01 -0.319460D+01 -0.706762D+01 -0.825439D+01
                36            37            38            39            40 
      1   0.639623D+01 -0.309669D+01 -0.909415D+00 -0.480837D+00 -0.578951D-01
      2   0.870625D+01  0.599481D+01  0.306719D+01  0.981274D+00 -0.264731D+01
      3  -0.195044D+01 -0.185510D+01 -0.109890D+01  0.732686D+00  0.525217D+01
                41            42            43            44            45 
      1   0.210210D+01 -0.495235D+01  0.208171D+01  0.308274D+01 -0.286287D+01
      2   0.230217D+01  0.188760D+01 -0.402442D+01  0.225293D+01  0.478953D+01
      3  -0.804915D+01 -0.185855D+01  0.272387D+01 -0.904014D+00 -0.287416D+01
                46            47            48            49            50 
      1   0.215120D+01 -0.651950D+01  0.159067D+01 -0.708588D+01 -0.645403D+01
      2  -0.100867D+02 -0.413552D+01  0.142475D+02 -0.284602D+01  0.251595D+01
      3  -0.405912D+01  0.152034D+01  0.104955D+01  0.609168D+01  0.538175D+01
                51            52            53            54            55 
      1  -0.955450D+01  0.110722D+01 -0.278325D+01  0.426231D+01 -0.794586D+00
      2   0.530486D+00  0.686303D+01  0.380908D+00  0.207112D+01  0.144013D+01
      3   0.405864D+01  0.127881D+01  0.306990D+01 -0.111521D+01  0.469650D+01
                56            57            58            59            60 
      1   0.873071D+00 -0.675891D+01  0.615439D+00 -0.469127D+01 -0.762003D+00
      2  -0.546238D-01  0.483327D+01 -0.654914D+00  0.148912D+01 -0.639371D+00
      3  -0.896776D+01  0.177828D+01  0.280625D+01  0.649639D+01 -0.206387D+01
                61            62            63            64            65 
      1  -0.556610D+01  0.866225D+01  0.553743D+01 -0.100923D+01 -0.295358D+01
      2  -0.202628D+00 -0.329611D+00  0.116799D+00 -0.131952D+01  0.234458D+01
      3   0.140270D+01 -0.278258D+01  0.726028D+01  0.208972D+01 -0.926271D+01
                66            67            68            69            70 
      1   0.185403D+01  0.467167D+00  0.249516D+01 -0.349041D+01 -0.616776D+00
      2   0.977725D+01  0.969889D+00 -0.529381D+01 -0.358421D+01  0.237226D+01
      3  -0.604459D+00  0.420977D+00  0.756145D+01  0.410175D+01  0.463330D+01
                71            72            73            74            75 
      1   0.427537D+01 -0.241110D+01  0.107224D+01 -0.200129D+00  0.235102D+00
      2  -0.321322D+01 -0.128913D+02  0.872070D+00 -0.531268D+00 -0.346916D+00
      3   0.761267D+01  0.364731D+01  0.270501D+00 -0.577675D+00 -0.603468D+00
                76            77            78            79            80 
      1  -0.257919D+00  0.144275D+00  0.326550D+00  0.175891D-01  0.359507D+01
      2  -0.137122D+01  0.272356D+00 -0.633823D-01 -0.340693D+01  0.170164D+00
      3   0.136524D+01 -0.215831D-01 -0.405536D+00  0.320858D+00 -0.199301D+00
                81            82            83            84            85 
      1   0.239714D+01 -0.124824D+01 -0.364386D-01 -0.587326D+00 -0.159999D+00
      2   0.822749D+00 -0.126172D+01 -0.155245D+00  0.270133D+00 -0.217550D+00
      3  -0.242325D+00  0.406324D+01  0.197513D+01  0.958385D+00  0.601335D+01
                86            87            88            89            90 
      1  -0.344313D+00 -0.358783D+01 -0.147232D+00  0.374214D-01 -0.172441D+00
      2  -0.103897D+01 -0.106203D+01 -0.174286D+01 -0.142126D+01 -0.619110D-01
      3   0.927896D+01  0.151622D+01  0.153718D+01  0.151196D+01  0.173019D+01
                91            92            93            94            95 
      1   0.331722D+01  0.212483D+01 -0.182938D+01  0.172921D+01  0.164129D+01
      2  -0.492446D+01 -0.299274D+01  0.341877D+01 -0.205839D+01 -0.155831D+01
      3   0.277526D+01 -0.276467D+01 -0.484917D+00  0.430888D+00 -0.171899D+01
                96            97            98            99           100 
      1  -0.894946D+00 -0.175531D+01 -0.734566D+00  0.108919D+01  0.115989D+01
      2   0.138732D+01  0.267690D+01  0.166194D+01 -0.211475D+01 -0.147761D+01
      3   0.944998D-01 -0.374181D+00  0.119012D+01 -0.318200D+00 -0.347696D+01
               101           102           103           104           105 
      1  -0.156941D+01  0.317870D+01 -0.157773D+01  0.195436D+01 -0.373291D+01
      2   0.923508D+00 -0.651159D-01  0.120892D+01 -0.123968D+01  0.339292D+00
      3   0.346926D+01 -0.255491D+01  0.582369D+01 -0.503340D+01  0.292047D+01
               106           107           108           109           110 
      1   0.249546D+01 -0.235389D+01  0.390659D+01 -0.103716D+01  0.127153D+01
      2  -0.207630D+01  0.973396D+00 -0.712388D+00  0.812902D+00  0.198120D+00
      3  -0.450021D+01  0.376215D+01 -0.373722D+01 -0.788293D+00 -0.479781D-02
               111           112           113           114           115 
      1   0.253255D+01  0.137043D+01 -0.302007D+01 -0.328043D+01  0.203933D+01
      2  -0.391732D+00  0.197878D+00  0.100146D+00  0.335098D+00 -0.237743D+01
      3   0.114060D+01  0.153136D+01 -0.113424D+01 -0.137762D+01  0.374386D+01
               116           117           118           119           120 
      1  -0.252366D+01 -0.119488D+02  0.248971D+01  0.324307D+01  0.104916D+01
      2   0.496877D+00  0.796588D+00 -0.304632D+00 -0.100627D+01  0.416057D+00
      3  -0.153528D+01 -0.263947D+01 -0.112296D+01 -0.315030D+01 -0.120678D+01
               121           122           123           124           125 
      1   0.279485D+01  0.131117D+02  0.172864D+01  0.151380D+01  0.389050D+01
      2  -0.258204D+01 -0.208294D+00  0.281018D+01 -0.188592D+01  0.865464D+00
      3  -0.213617D+00 -0.878797D+01 -0.217189D+01 -0.673824D+00 -0.152758D+01
               126           127           128           129           130 
      1   0.291146D+01  0.214195D+00 -0.230232D+01 -0.114993D+01 -0.960258D+00
      2   0.711368D+00  0.166908D+02  0.194850D+01 -0.636722D+01  0.171273D+01
      3  -0.223743D+01  0.408853D+01 -0.400661D+00 -0.138790D+01  0.198669D+01
               131           132           133           134           135 
      1   0.153516D+00  0.700880D+00 -0.582062D+00  0.255035D+01  0.574085D+00
      2   0.219957D+01 -0.146176D+01 -0.823825D+01 -0.148561D+01  0.698687D+01
      3   0.461082D+00 -0.142163D+01 -0.122433D+01 -0.286808D+00  0.173255D+01
               136           137           138           139           140 
      1  -0.287257D+01  0.456105D+01 -0.234850D+00  0.386662D+01 -0.502347D+01
      2  -0.387440D+01  0.249432D+01  0.579775D+00  0.355474D+01 -0.137452D+01
      3   0.415596D+00 -0.342998D+01  0.527941D+00 -0.454205D+00  0.364666D+01
               141           142           143           144           145 
      1   0.809490D+00 -0.120697D+01  0.303775D+01 -0.133116D+01 -0.553265D-01
      2  -0.174045D+01 -0.280663D+01 -0.155740D+00  0.702738D+00 -0.256232D+01
      3  -0.232551D+01 -0.209233D+00 -0.204416D+01  0.139726D+01  0.118413D+01
               146           147           148           149           150 
      1  -0.517112D-01 -0.652843D-01 -0.377881D+00  0.350946D-01 -0.416899D+00
      2  -0.364650D+00 -0.927278D-01 -0.634888D+00 -0.222476D+01 -0.350954D+01
      3  -0.106743D+01  0.378340D+00 -0.533756D+00  0.427739D+00  0.284930D+01
               151           152           153           154           155 
      1   0.305025D+00  0.344110D+01 -0.274411D+01 -0.135640D+01 -0.175529D+01
      2  -0.857449D+00 -0.295407D+01 -0.238556D+02  0.210656D+01  0.957882D+00
      3   0.559086D+00  0.340057D+01  0.270156D+01 -0.457484D+01 -0.599290D+01
               156           157           158           159           160 
      1  -0.446857D+00 -0.177180D+01 -0.496146D+01 -0.192137D+01 -0.174398D+00
      2   0.183630D+01  0.101378D+01  0.246308D+01  0.377037D+01  0.779266D+00
      3   0.377341D+00 -0.422439D+01 -0.185996D+02 -0.238043D+00  0.144617D+00
               161           162           163           164           165 
      1   0.566875D+00 -0.658691D+00  0.270411D+01 -0.179804D+01  0.177417D+01
      2   0.177182D+01 -0.781175D+00  0.806612D+01 -0.398781D+01  0.589417D+01
      3  -0.153981D+01 -0.180078D+01  0.404269D+01 -0.718100D+01  0.101718D+01
               166           167           168           169           170 
      1  -0.218517D+01  0.194148D+01 -0.269711D+01  0.102015D+01 -0.405886D+00
      2  -0.408991D+01  0.435333D+01 -0.500528D+01  0.411223D+01 -0.326646D+01
      3  -0.528325D+01  0.677299D+01 -0.178831D+01  0.976353D+00 -0.310310D+01
               171 
      1   0.133306D+01
      2   0.280235D+01
      3   0.213766D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.216419D+01  0.122127D+02 -0.184218D+02  0.150334D+02 -0.239048D+02
      2  -0.574123D+01 -0.288858D+01  0.871633D+01 -0.542953D+01  0.855029D+01
      3   0.790541D+01 -0.932414D+01  0.970545D+01 -0.960385D+01  0.153545D+02
      4   0.160393D+02 -0.200458D+02  0.602607D+01 -0.270043D+02 -0.134825D+02
      5  -0.200595D+02  0.262778D+01  0.703014D+01  0.187144D+01 -0.361343D+01
      6   0.142384D+01  0.222715D+01 -0.926206D+00  0.289352D+01  0.552545D+01
                 6             7             8             9            10 
      1   0.484772D+01 -0.232997D+02  0.719744D+01  0.148055D+02 -0.864921D+01
      2   0.131580D+01  0.838369D+01  0.348736D+00  0.656053D+01 -0.104276D-01
      3  -0.616351D+01  0.149160D+02 -0.754618D+01 -0.213660D+02  0.865963D+01
      4  -0.586570D+01  0.850575D+01 -0.798783D+01  0.790543D+01 -0.342261D+01
      5   0.720494D+01  0.355845D+01  0.694881D+01  0.284152D+02  0.145390D+02
      6  -0.512483D+00  0.390130D+00 -0.805432D+00 -0.105270D+02 -0.428477D+01
                11            12            13            14            15 
      1  -0.555568D+00  0.125642D+02 -0.127745D+01  0.174599D+02  0.241605D+01
      2  -0.242521D+01 -0.806630D+01 -0.118576D+01 -0.228036D+02 -0.358876D+01
      3   0.298077D+01 -0.449786D+01  0.246321D+01  0.534367D+01  0.117270D+01
      4   0.772934D+01 -0.352871D+01  0.142169D+02  0.452983D+01  0.344343D+01
      5  -0.848790D+00 -0.329175D+01 -0.556654D+00  0.359804D+01 -0.174149D+01
      6  -0.519914D-01  0.109575D+01  0.278408D+00 -0.552196D+01  0.321355D+01
                16            17            18            19            20 
      1   0.160643D+02  0.351433D+00  0.358365D+00 -0.838671D+01 -0.422056D+01
      2  -0.781978D+01 -0.191627D+01  0.177472D+01  0.115044D+02  0.345719D+00
      3  -0.824455D+01  0.156484D+01 -0.213308D+01 -0.311770D+01  0.387484D+01
      4  -0.521701D+01  0.382413D+01 -0.716142D+00 -0.160289D+01 -0.201417D+01
      5  -0.319567D+01 -0.399807D+00 -0.127361D+02 -0.376420D+01 -0.130519D+01
      6  -0.172531D+00 -0.788159D+00  0.250868D+01 -0.286669D+00 -0.816278D+00
                21            22            23            24            25 
      1  -0.774077D+00 -0.340785D+00 -0.245452D+00  0.156257D+01 -0.482724D+01
      2   0.155079D+01 -0.185780D+01 -0.447446D+01  0.443639D+00  0.187774D+01
      3  -0.776712D+00  0.219858D+01  0.471992D+01 -0.200621D+01  0.294950D+01
      4   0.797595D+00 -0.115732D+02 -0.750214D+00 -0.450701D+00  0.294148D+01
      5   0.160053D+01  0.141952D+01  0.674831D+00  0.186579D+01  0.165836D+01
      6  -0.136334D-01 -0.123894D+00  0.304543D+01 -0.282308D+01 -0.472766D+00
                26            27            28            29            30 
      1   0.421538D+01  0.103968D+02 -0.642933D+01  0.102959D+02  0.178185D+00
      2  -0.246956D+01  0.122751D+02  0.978799D+00 -0.594217D+01 -0.438800D+01
      3  -0.174582D+01 -0.226718D+02  0.545053D+01 -0.435377D+01  0.420981D+01
      4  -0.610315D+00 -0.111814D+01  0.107907D+02 -0.842685D+01 -0.687559D+01
      5  -0.330582D+00 -0.884709D+00  0.757464D+01 -0.651528D+01 -0.104952D+02
      6   0.263232D+01  0.132097D+01 -0.331825D+01  0.105723D+01 -0.149739D+01
                31            32            33            34            35 
      1   0.150066D+02  0.370949D+01 -0.394242D+01  0.126119D+02 -0.433168D+01
      2  -0.915299D+01 -0.756139D+01  0.873563D+01 -0.735839D+01 -0.191531D+01
      3  -0.585362D+01  0.385190D+01 -0.479321D+01 -0.525347D+01  0.624699D+01
      4  -0.609994D+01 -0.114962D+01 -0.340023D+00 -0.104290D+02  0.737485D+01
      5  -0.142285D+02  0.435446D+00 -0.119845D+01 -0.773866D+01  0.122346D+01
      6  -0.292176D+01 -0.572000D+01 -0.268016D+01 -0.169707D+01 -0.865313D+00
                36            37            38            39            40 
      1  -0.671788D+01 -0.156505D+02 -0.632718D+01  0.673971D+01 -0.611733D+01
      2   0.422204D+01  0.360070D+01  0.180185D+01 -0.377389D+01  0.325979D+01
      3   0.249584D+01  0.120498D+02  0.452533D+01 -0.296582D+01  0.285754D+01
      4   0.301025D+01 -0.133556D+02 -0.347022D+01  0.595883D+01  0.606285D+01
      5   0.143850D+02  0.659606D+01  0.342056D+01  0.644123D+01  0.694797D+01
      6  -0.511576D+01  0.494341D+01  0.225226D+01  0.114598D+01  0.490395D+01
                41            42            43            44            45 
      1  -0.158854D+02 -0.953265D+00  0.105413D+02  0.158541D+01 -0.455873D+01
      2   0.222202D+02 -0.194398D-02 -0.391951D+01  0.175575D+01 -0.285439D+01
      3  -0.633482D+01  0.955209D+00 -0.662178D+01 -0.334116D+01  0.741312D+01
      4   0.154796D+02  0.659414D+01  0.126188D+02  0.972945D+01  0.525240D+01
      5   0.680242D+01  0.701488D+01  0.990050D+01  0.802347D+01  0.123372D+02
      6   0.841406D+01  0.987912D+01  0.253153D+01  0.101511D+02  0.829848D+01
                46            47            48            49            50 
      1   0.112690D+02  0.503276D+01 -0.121405D+02  0.421250D+01 -0.555886D+01
      2   0.215566D+01 -0.852042D+00  0.262352D+01 -0.107047D+01  0.914418D+01
      3  -0.134247D+02 -0.418072D+01  0.951694D+01 -0.314203D+01 -0.358532D+01
      4   0.509589D+01 -0.136351D+02  0.811213D+01 -0.151454D+02 -0.337038D+01
      5  -0.609338D+01  0.895483D+01 -0.128201D+02  0.796297D+01 -0.196240D+02
      6   0.130523D+02 -0.126410D+02  0.265642D+00 -0.139785D+02 -0.561630D+01
                51            52            53            54            55 
      1   0.346725D+00 -0.112818D+02 -0.104349D+01 -0.582326D+01  0.104567D+02
      2  -0.518060D+00  0.176035D+01  0.138277D+00 -0.642865D+01 -0.726133D+01
      3   0.171334D+00  0.952142D+01  0.905212D+00  0.122519D+02 -0.319541D+01
      4  -0.115476D+02  0.662368D+01 -0.821863D+01  0.187297D+01  0.442743D+01
      5   0.435775D+01 -0.116462D+02  0.196389D+01  0.118201D+02 -0.124997D+01
      6  -0.128868D+02  0.780477D+00 -0.931708D+01  0.224320D+01  0.358534D+01
                56            57            58            59            60 
      1  -0.115923D+02  0.216797D+01 -0.780556D+01 -0.671324D+01 -0.225352D+01
      2   0.182704D+02 -0.262034D+01  0.140049D+02  0.167899D+02  0.393120D+01
      3  -0.667805D+01  0.452372D+00 -0.619933D+01 -0.100767D+02 -0.167769D+01
      4   0.668167D-01  0.227297D+01  0.699326D+01  0.151333D+02 -0.258345D+01
      5   0.173739D+01  0.254780D+01  0.630933D+00 -0.298356D+01  0.115807D+01
      6  -0.676948D+01  0.116736D+02 -0.531420D+01  0.408540D+01 -0.277655D+01
                61            62            63            64            65 
      1   0.349686D+01 -0.106038D+01  0.435822D+01  0.384396D+02 -0.961697D+01
      2  -0.312534D+01  0.390461D+01 -0.100236D+02 -0.205319D+02  0.319692D+01
      3  -0.371518D+00 -0.284423D+01  0.566534D+01 -0.179078D+02  0.642006D+01
      4   0.255234D+01 -0.220453D+01  0.953344D+01 -0.164907D+02  0.194953D+02
      5   0.430450D+01  0.292869D+01 -0.234280D+01 -0.163057D+02  0.693819D+01
      6   0.111534D+02 -0.632278D+01 -0.724337D+01  0.234894D+01 -0.214959D+01
                66            67            68            69            70 
      1  -0.890995D+01 -0.131684D+02  0.238237D+01  0.101806D+01 -0.139875D+02
      2   0.990688D+01  0.516244D+01  0.493172D+01 -0.261312D+01  0.943133D+01
      3  -0.996921D+00  0.800598D+01 -0.731410D+01  0.159506D+01  0.455615D+01
      4   0.705321D+01  0.176648D+02 -0.182157D+02 -0.871614D+01  0.613369D+01
      5   0.190690D+02  0.688819D+01 -0.890567D+01 -0.727327D+01  0.205228D+02
      6  -0.245178D+01 -0.367034D+01  0.313621D+01  0.746327D+01 -0.266578D+01
                71            72            73            74            75 
      1   0.606120D+00  0.305737D+01  0.636236D+00  0.213989D+00  0.154009D-01
      2  -0.487989D+00 -0.143425D+02 -0.454021D+01  0.349860D+00 -0.243855D+00
      3  -0.118131D+00  0.112852D+02  0.390397D+01 -0.563850D+00  0.228454D+00
      4  -0.124965D+02 -0.101962D+02  0.369775D-01  0.126092D+01 -0.564967D+00
      5  -0.878951D+01 -0.268202D+02 -0.328641D-01  0.152559D+00  0.581862D+01
      6   0.705270D+01  0.448769D+01 -0.293142D+00  0.336142D-01  0.250374D-01
                76            77            78            79            80 
      1   0.907583D+00 -0.368656D+01 -0.107008D+01  0.899740D+00  0.438973D+00
      2   0.331619D+00  0.291148D-01 -0.177880D+01 -0.112952D+00 -0.230719D+01
      3  -0.123920D+01  0.365745D+01  0.284888D+01 -0.786788D+00  0.186822D+01
      4   0.227655D+01 -0.520724D-01  0.397064D-01 -0.402156D+00  0.322267D+00
      5   0.145360D+00 -0.267665D+00 -0.193673D-01  0.505710D+01  0.264698D+00
      6   0.162561D+00  0.386316D+00  0.632458D+01  0.142963D+00  0.470361D+01
                81            82            83            84            85 
      1  -0.197257D+02 -0.139738D+01 -0.393303D+01 -0.219650D+01 -0.530314D+01
      2  -0.165149D+02  0.501672D+01  0.521186D+01  0.195237D+01  0.623297D+01
      3   0.362405D+02 -0.361934D+01 -0.127883D+01  0.244126D+00 -0.929836D+00
      4   0.769118D+00  0.766865D+00  0.388696D+01  0.907677D+00  0.276854D+01
      5   0.135073D+01 -0.142843D+01  0.668994D+00  0.109674D+01  0.117436D+01
      6  -0.312551D+01  0.143980D+01  0.107199D+01  0.778735D+00  0.833889D+00
                86            87            88            89            90 
      1  -0.196474D+02 -0.152011D+01 -0.316845D+01 -0.239822D+01 -0.433424D+01
      2   0.326216D+02  0.405167D+01  0.210683D+01  0.329323D+01  0.334066D+01
      3  -0.129742D+02 -0.253155D+01  0.106163D+01 -0.895016D+00  0.993577D+00
      4  -0.914644D+01 -0.164035D+01  0.572047D+00 -0.151767D+01 -0.121684D+01
      5  -0.161326D+01 -0.277998D+01  0.205571D+01 -0.181979D+01  0.569029D+00
      6   0.564211D+01  0.550622D+01  0.149662D+01  0.737931D+01  0.275662D+01
                91            92            93            94            95 
      1   0.341210D+02  0.141298D+02 -0.248460D+01  0.547557D+01  0.451009D+01
      2  -0.119964D+02 -0.258119D+01  0.216828D+00  0.938289D+00  0.233335D+01
      3  -0.221246D+02 -0.115486D+02  0.226777D+01 -0.641386D+01 -0.684343D+01
      4   0.268580D+02  0.183963D+02 -0.126548D+01  0.120013D+02  0.118297D+02
      5   0.182753D+01  0.121669D+01  0.469048D+01  0.414327D+00  0.609839D+00
      6  -0.117963D+01  0.937084D-01  0.238260D+01  0.219050D+00  0.200139D+00
                96            97            98            99           100 
      1  -0.448968D+00 -0.951886D+01 -0.444972D+01  0.310186D+01 -0.232742D+01
      2  -0.364993D+00  0.289937D+01  0.263150D+00 -0.133984D+01  0.543071D+01
      3   0.813961D+00  0.661949D+01  0.418657D+01 -0.176202D+01 -0.310329D+01
      4  -0.622935D+00 -0.910289D+01 -0.659698D+01  0.419092D+01 -0.577407D+01
      5   0.177399D+01  0.515142D+01  0.278735D+01 -0.192053D+01  0.302519D+01
      6   0.171606D+01  0.327063D+01  0.249317D+01 -0.151807D+01 -0.609136D+01
               101           102           103           104           105 
      1   0.792962D+01 -0.361715D+01  0.577279D+01 -0.148769D+02  0.639901D+01
      2  -0.127539D+02  0.430082D+01 -0.931262D+01  0.233160D+02 -0.878134D+01
      3   0.482428D+01 -0.683665D+00  0.353983D+01 -0.843902D+01  0.238233D+01
      4   0.100089D+02 -0.501380D+01  0.804675D+01 -0.944806D+01  0.428003D+01
      5  -0.333621D+01  0.365536D+01 -0.182060D+01  0.302069D+01 -0.166262D+01
      6   0.894937D+01 -0.735293D+01  0.646595D+01 -0.141468D+02  0.101869D+02
               106           107           108           109           110 
      1  -0.430732D+01  0.950439D+01 -0.844277D+01 -0.989545D+00  0.266302D+01
      2   0.449933D+01 -0.106631D+02  0.633584D+01  0.169451D+01 -0.413861D+01
      3  -0.192012D+00  0.115867D+01  0.210693D+01 -0.704963D+00  0.147559D+01
      4  -0.531317D+01  0.554225D+01 -0.540268D+01  0.445639D-01  0.339530D+01
      5   0.321234D+01 -0.275518D+01  0.302025D+01 -0.120753D+01 -0.234740D+00
      6  -0.735419D+01  0.142033D+02 -0.124013D+02  0.111550D+01 -0.208938D+01
               111           112           113           114           115 
      1   0.134164D+01  0.128688D+01 -0.475777D+01 -0.312869D+01  0.700340D+00
      2  -0.201933D+01 -0.186700D+01  0.715690D+01  0.468615D+01 -0.159673D+01
      3   0.677693D+00  0.580113D+00 -0.239913D+01 -0.155746D+01  0.896390D+00
      4   0.865535D+00  0.344339D+01 -0.201401D+01 -0.141176D+01  0.321760D+01
      5   0.150411D+01 -0.196550D+00 -0.147273D+00 -0.410469D+00  0.888332D+00
      6  -0.416179D+01 -0.169509D+01  0.461118D+01  0.741763D+01 -0.376401D+01
               116           117           118           119           120 
      1  -0.698603D+01 -0.679513D+01  0.357802D+01  0.312728D+01  0.184156D+01
      2   0.965197D+01  0.460902D+01 -0.368992D+01 -0.257607D+01 -0.305629D+01
      3  -0.266595D+01  0.218612D+01  0.111899D+00 -0.551209D+00  0.121473D+01
      4  -0.190394D+01 -0.326650D+01  0.498774D+01  0.785273D+01  0.187859D+01
      5  -0.748040D+00 -0.877789D-01  0.709499D+01  0.509891D+01  0.788775D+01
      6   0.832100D+01  0.173371D+02  0.305579D+01  0.640610D+01  0.244813D+01
               121           122           123           124           125 
      1   0.430440D+01 -0.225424D+01 -0.390901D+01  0.592669D+00 -0.246880D+01
      2  -0.370556D+01  0.161311D+01 -0.525973D+01 -0.168904D+01 -0.285396D+01
      3  -0.598843D+00  0.641134D+00  0.916874D+01  0.109637D+01  0.532276D+01
      4   0.799536D+01  0.157055D+02  0.700078D+01  0.110724D+01  0.436500D+01
      5   0.759688D+01  0.112811D+02  0.973883D+01  0.559433D+01  0.562270D+01
      6   0.699674D+01  0.189241D+02  0.102599D+02  0.245504D+01  0.900651D+01
               126           127           128           129           130 
      1  -0.281564D+01 -0.924223D+01 -0.373514D+01  0.132766D+02 -0.303921D+01
      2  -0.247199D+01 -0.977008D+00  0.143154D+01  0.367192D+01  0.162976D+01
      3   0.528763D+01  0.102192D+02  0.230359D+01 -0.169486D+02  0.140945D+01
      4   0.421908D+01  0.450156D+01  0.275307D+01 -0.311029D+01  0.349325D+01
      5   0.518256D+01 -0.135654D+02 -0.272026D+01  0.602543D+01 -0.264346D+01
      6   0.597802D+01 -0.538612D+01 -0.447482D+01  0.532742D+01 -0.304173D+01
               131           132           133           134           135 
      1  -0.356138D+01  0.291462D+01  0.102024D+02  0.260221D+01 -0.132136D+02
      2   0.820528D+00 -0.505640D+00  0.242552D+01 -0.118662D+00 -0.540334D+01
      3   0.274085D+01 -0.240898D+01 -0.126279D+02 -0.248355D+01  0.186169D+02
      4   0.130459D+01  0.809830D+00 -0.223028D+01  0.307575D+00  0.182302D+01
      5   0.274904D+00  0.237135D+00  0.748999D+01  0.857724D+00 -0.530629D+01
      6  -0.258898D+01  0.653524D+01  0.355024D+01  0.552458D+01 -0.515856D+01
               136           137           138           139           140 
      1   0.118155D+02 -0.467536D+01  0.308984D+01 -0.487843D+01 -0.147265D+01
      2  -0.890213D+01  0.163126D+01 -0.681045D+01  0.137316D+01  0.413404D+01
      3  -0.291332D+01  0.304410D+01  0.372061D+01  0.350527D+01 -0.266140D+01
      4  -0.144821D+02  0.131331D+02 -0.807662D+01  0.142877D+02 -0.153490D+02
      5   0.202663D+02 -0.116749D+02  0.171218D+02 -0.127969D+02  0.136931D+02
      6  -0.109506D+02  0.107668D+02 -0.826224D+01  0.111961D+02 -0.153761D+02
               141           142           143           144           145 
      1   0.329888D+01  0.187585D+01  0.235989D+01 -0.222215D+01  0.200137D+00
      2   0.195729D+01 -0.512468D+01  0.205181D+01 -0.568263D+01 -0.245517D+01
      3  -0.525617D+01  0.324883D+01 -0.441170D+01  0.790478D+01  0.225503D+01
      4   0.949796D+01 -0.541781D+01  0.608282D+01 -0.763662D+01 -0.209111D+01
      5  -0.121567D+02  0.131728D+02 -0.868475D+01  0.132136D+02 -0.362022D+01
      6   0.134360D+02 -0.655402D+01  0.987270D+01 -0.103690D+02  0.167966D+01
               146           147           148           149           150 
      1  -0.245794D+01 -0.540820D+01 -0.329709D+01 -0.378038D+00 -0.319906D+01
      2   0.117291D+01  0.277364D+01  0.149526D+01 -0.750211D+00  0.620725D-01
      3   0.128502D+01  0.263456D+01  0.180183D+01  0.112825D+01  0.313699D+01
      4   0.282435D+01  0.880263D+00  0.538531D+01 -0.180269D+01 -0.568565D+01
      5   0.765867D+00  0.604068D+01  0.196086D+01 -0.531546D+01 -0.600518D+01
      6   0.154804D+00  0.412216D+00 -0.159972D+01  0.349629D+01  0.827282D+01
               151           152           153           154           155 
      1  -0.656000D+01 -0.297040D+01 -0.152427D+02  0.128985D+02  0.881103D+01
      2   0.709856D+01 -0.326970D+00 -0.185088D+02 -0.395156D+01 -0.349939D+01
      3  -0.538561D+00  0.329737D+01  0.337515D+02 -0.894690D+01 -0.531164D+01
      4   0.201071D+01 -0.606799D+01 -0.627341D+01  0.922717D+01  0.135729D+02
      5   0.142462D+02 -0.584036D+01 -0.444954D+02  0.244145D+00 -0.164564D+01
      6  -0.240084D+01  0.801562D+01  0.127231D+02 -0.190775D+01 -0.239730D+01
               156           157           158           159           160 
      1   0.168168D+01  0.165453D+02  0.103710D+02 -0.118307D+01  0.550631D+01
      2  -0.503571D+00 -0.703351D+01  0.204489D+01  0.172524D+01 -0.186143D+01
      3  -0.117810D+01 -0.951175D+01 -0.124159D+02 -0.542169D+00 -0.364488D+01
      4  -0.592119D+00  0.167465D+02  0.312121D+02  0.151252D+00  0.877058D-01
      5   0.228140D+01 -0.419232D+01 -0.404721D+00  0.739082D+01  0.367870D+01
      6   0.657037D+00 -0.249351D+01 -0.718262D+01  0.237330D+01  0.114923D+01
               161           162           163           164           165 
      1   0.313396D+00  0.833557D-01  0.469315D+02 -0.175929D+02  0.758829D+01
      2   0.478402D+00 -0.157337D+01 -0.178791D+02  0.439026D+01 -0.249724D+01
      3  -0.791798D+00  0.149002D+01 -0.290524D+02  0.132027D+02 -0.509105D+01
      4   0.263662D+01  0.379735D+01 -0.257753D+02  0.193121D+02 -0.387520D+01
      5   0.433668D+01 -0.233991D+01  0.355853D+01 -0.145066D+01  0.749348D+01
      6   0.265816D+01  0.604394D+00  0.105369D+01 -0.162313D+01 -0.154613D+01
               166           167           168           169           170 
      1  -0.231721D+02  0.137792D+02 -0.242884D+01  0.161930D+02 -0.469934D+01
      2   0.589616D+01  0.134525D+01 -0.102951D+01 -0.614101D+01 -0.603734D-01
      3   0.172760D+02 -0.151244D+02  0.345836D+01 -0.100520D+02  0.475971D+01
      4   0.247726D+02 -0.206321D+02  0.444646D+01 -0.825871D+01  0.741940D+01
      5  -0.577775D+00  0.248468D+01 -0.749470D+01  0.842123D+01 -0.580762D+01
      6  -0.171211D+01  0.536143D+00  0.279189D+01 -0.205719D+01  0.218080D+01
               171 
      1   0.459861D+01
      2  -0.310558D+01
      3  -0.149303D+01
      4  -0.654743D+01
      5   0.403933D+01
      6  -0.949530D+00
 Leave Link  716 at Thu Aug 12 21:58:10 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.863323D+02 -0.218150D+00 -0.260076D+01
      2  -0.218150D+00  0.760961D+02  0.185010D+01
      3  -0.260076D+01  0.185010D+01  0.736975D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.177674D+01  0.101010D+01 -0.148559D+00
      2   0.543960D+01 -0.616331D+01  0.330715D+02
      3   0.646214D+01 -0.256405D+02  0.701569D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.698759D+02 -0.238515D+02  0.522955D+01
      2  -0.388229D+02  0.226857D+02 -0.115406D+02
      3  -0.310530D+02  0.116588D+01  0.631110D+01
      4  -0.234921D+02  0.398987D+02 -0.165872D+02
      5   0.123702D+02 -0.187811D+02  0.646747D+02
      6  -0.477983D+01  0.157833D+00 -0.620312D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.102143D+00  0.223633D+01 -0.366091D+01  0.354785D+01 -0.401962D+01
      2   0.223633D+01 -0.335432D+01  0.682589D+00 -0.401962D+01 -0.319583D+01
      3  -0.366091D+01  0.682589D+00  0.118200D+01  0.506118D+00 -0.118673D+01
                 6             7             8             9            10 
      1   0.506118D+00 -0.489732D+01  0.949802D+00  0.813651D-01  0.187504D+01
      2  -0.118673D+01  0.949802D+00 -0.132213D+01  0.154327D+01 -0.207309D+01
      3   0.176632D+01  0.813651D-01  0.154327D+01  0.693155D+01  0.394041D+01
                11            12            13            14            15 
      1  -0.207309D+01  0.394041D+01 -0.538372D+01  0.420882D+01 -0.104455D+00
      2   0.407804D+01 -0.204973D+00  0.420882D+01  0.465269D+01  0.219735D+01
      3  -0.204973D+00 -0.872070D+00 -0.104455D+00  0.219735D+01 -0.688626D+00
                16            17            18            19            20 
      1   0.618229D+01 -0.519317D+00 -0.482313D+00 -0.259904D+01  0.532515D+01
      2  -0.519317D+00  0.245205D+01 -0.263298D+00  0.532515D+01 -0.914523D+00
      3  -0.482313D+00 -0.263298D+00 -0.532211D+01 -0.149254D+01  0.164616D+00
                21            22            23            24            25 
      1  -0.149254D+01  0.583922D+01 -0.124599D+01  0.397764D+00 -0.361749D+01
      2   0.164616D+00 -0.124599D+01 -0.927832D+00 -0.925261D+00 -0.564846D-01
      3  -0.271214D+00  0.397764D+00 -0.925261D+00  0.160208D+01 -0.616079D+00
                26            27            28            29            30 
      1  -0.564846D-01 -0.616079D+00  0.615464D+00 -0.364676D+01 -0.589942D+00
      2  -0.165433D+01  0.124025D+01 -0.364676D+01  0.830223D+00  0.140169D+01
      3   0.124025D+01  0.621856D+01 -0.589942D+00  0.140169D+01  0.811655D+00
                31            32            33            34            35 
      1  -0.317244D+01 -0.214388D+00  0.153202D+01 -0.345645D+01  0.173965D+01
      2  -0.214388D+00 -0.875035D+00  0.400215D+00  0.173965D+01 -0.100420D+00
      3   0.153202D+01  0.400215D+00 -0.135325D+01  0.118797D+01 -0.119259D+01
                36            37            38            39            40 
      1   0.118797D+01  0.492195D+01  0.156715D+01 -0.160567D+01  0.296571D+00
      2  -0.119259D+01  0.156715D+01  0.153399D+01 -0.649914D+00  0.219741D+00
      3  -0.261625D+01 -0.160567D+01 -0.649914D+00  0.382319D+00 -0.963582D+00
                41            42            43            44            45 
      1   0.219741D+00 -0.963582D+00 -0.290628D+01 -0.163794D+01 -0.748993D+00
      2  -0.386510D+01 -0.152226D+01 -0.163794D+01 -0.221086D+01 -0.152100D+01
      3  -0.152226D+01 -0.778666D+00 -0.748993D+00 -0.152100D+01 -0.240076D+01
                46            47            48            49            50 
      1   0.111488D+01  0.248494D+01 -0.461395D+01  0.272123D+01 -0.377054D+01
      2   0.248494D+01 -0.350761D+01  0.527186D+00 -0.377054D+01 -0.251831D+01
      3  -0.461395D+01  0.527186D+00  0.734287D+00  0.586407D+00 -0.315399D+01
                51            52            53            54            55 
      1   0.586407D+00 -0.386600D+01  0.255121D+00  0.827301D+00  0.185200D+01
      2  -0.315399D+01  0.255121D+00 -0.249167D+01  0.581984D+00 -0.112065D+01
      3   0.142122D+01  0.827301D+00  0.581984D+00  0.340215D+01  0.874001D+00
                56            57            58            59            60 
      1  -0.112065D+01  0.874001D+00 -0.958838D+00  0.267729D+01 -0.801073D+00
      2   0.418734D+01 -0.809176D+00  0.267729D+01  0.168891D+01  0.904183D+00
      3  -0.809176D+00  0.252866D+01 -0.801073D+00  0.904183D+00 -0.179578D+01
                61            62            63            64            65 
      1   0.119714D+01 -0.121548D+01  0.250844D+01 -0.692538D+01  0.249430D+01
      2  -0.121548D+01  0.105539D+01 -0.165360D+01  0.249430D+01 -0.246457D+01
      3   0.250844D+01 -0.165360D+01 -0.229909D+01  0.278332D+01 -0.117712D+01
                66            67            68            69            70 
      1   0.278332D+01  0.362154D+01 -0.222833D+01 -0.924074D+00  0.541909D+01
      2  -0.117712D+01 -0.222833D+01  0.433921D+01  0.177598D+01 -0.966148D+00
      3  -0.203198D+01 -0.924074D+00  0.177598D+01  0.179432D+01 -0.275993D+01
                71            72            73            74            75 
      1  -0.966148D+00 -0.275993D+01  0.509082D+00 -0.757410D+00 -0.110829D+01
      2   0.237892D+01  0.208648D+01 -0.757410D+00  0.258908D+00 -0.395810D-01
      3   0.208648D+01  0.555928D+01 -0.110829D+01 -0.395810D-01  0.690274D-01
                76            77            78            79            80 
      1  -0.136915D+01  0.288914D+00  0.413114D-02 -0.131314D+01  0.634869D-02
      2   0.288914D+00  0.647287D-01 -0.114251D+01  0.634869D-02 -0.121333D+01
      3   0.413114D-02 -0.114251D+01 -0.618084D+00  0.582254D-02 -0.295228D+00
                81            82            83            84            85 
      1   0.582254D-02 -0.151077D+01 -0.118802D+01 -0.889081D+00 -0.118023D+01
      2  -0.295228D+00 -0.118802D+01 -0.147017D+01 -0.267684D-01 -0.140692D+01
      3  -0.854945D+01 -0.889081D+00 -0.267684D-01 -0.271832D+00 -0.472798D-01
                86            87            88            89            90 
      1  -0.140692D+01 -0.472798D-01 -0.116307D+01 -0.833080D-01 -0.166343D+00
      2  -0.761552D+01 -0.118116D+01 -0.833080D-01 -0.114062D+01 -0.135285D+01
      3  -0.118116D+01 -0.140750D+01 -0.166343D+00 -0.135285D+01 -0.146075D+00
                91            92            93            94            95 
      1  -0.718351D+01 -0.368967D+01  0.360234D+00 -0.201885D+01 -0.177446D+01
      2  -0.368967D+01 -0.309527D+01  0.923407D-01 -0.177446D+01 -0.227175D+01
      3   0.360234D+00  0.923407D-01 -0.103233D+01  0.165772D+00  0.300928D-01
                96            97            98            99           100 
      1   0.165772D+00  0.230679D+01  0.130435D+01 -0.968291D+00 -0.107225D+01
      2   0.300928D-01  0.130435D+01  0.105309D+01 -0.589951D+00  0.183400D+01
      3  -0.530612D+00 -0.968291D+00 -0.589951D+00  0.328169D+00 -0.106133D+01
               101           102           103           104           105 
      1   0.183400D+01 -0.106133D+01  0.160695D+01 -0.211409D+01  0.982746D+00
      2  -0.271788D+01  0.130156D+01 -0.211409D+01  0.488654D+01 -0.198787D+01
      3   0.130156D+01 -0.119667D+01  0.982746D+00 -0.198787D+01  0.165322D+01
               106           107           108           109           110 
      1  -0.164760D+01  0.142015D+01 -0.136518D+01 -0.109022D+00  0.543889D+00
      2   0.142015D+01 -0.312504D+01  0.224516D+01  0.543889D+00 -0.707601D+00
      3  -0.136518D+01  0.224516D+01 -0.233976D+01  0.327868D+00 -0.530535D+00
               111           112           113           114           115 
      1   0.327868D+00  0.554693D+00 -0.340870D+00 -0.469603D+00  0.124102D+01
      2  -0.530535D+00 -0.340870D+00  0.149119D+01  0.108242D+01 -0.399708D+00
      3  -0.884692D+00 -0.469603D+00  0.108242D+01  0.113218D+01 -0.724368D+00
               116           117           118           119           120 
      1  -0.399708D+00 -0.724368D+00  0.124308D+01  0.104394D+01  0.114612D+01
      2   0.241272D+01  0.153846D+01  0.104394D+01  0.156202D+01  0.597498D+00
      3   0.153846D+01  0.435030D+01  0.114612D+01  0.597498D+00  0.872595D+00
               121           122           123           124           125 
      1   0.155441D+01  0.155331D+01  0.859901D+00  0.782299D+00  0.475427D+00
      2   0.155331D+01  0.530312D+01  0.185924D+01  0.475427D+00  0.127666D+01
      3   0.859901D+00  0.185924D+01  0.263534D+01  0.432957D+00  0.139114D+01
               126           127           128           129           130 
      1   0.432957D+00 -0.527617D+01 -0.789620D+00  0.240200D+01 -0.794077D+00
      2   0.139114D+01 -0.789620D+00 -0.808372D+00  0.586049D+00 -0.513882D+00
      3   0.115845D+01  0.240200D+01  0.586049D+00 -0.341892D+01  0.362765D+00
               131           132           133           134           135 
      1  -0.513882D+00  0.362765D+00  0.190909D+01  0.362879D+00 -0.222652D+01
      2  -0.412897D+00  0.113695D+01  0.362879D+00  0.837934D+00 -0.596575D+00
      3   0.113695D+01 -0.843596D+00 -0.222652D+01 -0.596575D+00  0.312146D+01
               136           137           138           139           140 
      1   0.390275D+01 -0.239512D+01  0.260446D+01 -0.267055D+01  0.255433D+01
      2  -0.239512D+01  0.235641D+01 -0.132756D+01  0.255433D+01 -0.326617D+01
      3   0.260446D+01 -0.132756D+01  0.231378D+01 -0.147852D+01  0.229752D+01
               141           142           143           144           145 
      1  -0.147852D+01  0.161828D+01 -0.947295D+00  0.164775D+01  0.569521D-01
      2   0.229752D+01 -0.947295D+00  0.150388D+01 -0.167430D+01 -0.370072D+00
      3  -0.254906D+01  0.164775D+01 -0.167430D+01  0.230723D+01 -0.838043D+00
               146           147           148           149           150 
      1  -0.370072D+00 -0.838043D+00 -0.758214D+00  0.703216D+00  0.184873D+00
      2   0.206380D+00 -0.150043D-02  0.703216D+00 -0.376717D+00 -0.123587D+01
      3  -0.150043D-02 -0.166740D+00  0.184873D+00 -0.123587D+01 -0.137210D+01
               151           152           153           154           155 
      1  -0.165317D+01  0.207485D+00  0.166797D+01  0.182273D+01  0.146208D+01
      2   0.207485D+00 -0.123386D+01 -0.120250D+01  0.146208D+01  0.172458D+01
      3   0.166797D+01 -0.120250D+01 -0.960530D+01  0.309358D+00 -0.137708D+00
               156           157           158           159           160 
      1   0.309358D+00  0.285425D+01  0.228281D+01 -0.446304D+00  0.920748D+00
      2  -0.137708D+00  0.228281D+01  0.562367D+01  0.704484D-02  0.388672D-01
      3   0.263574D+00 -0.446304D+00  0.704484D-02  0.118019D+01  0.518970D+00
               161           162           163           164           165 
      1   0.388672D-01  0.518970D+00  0.666008D+01 -0.296138D+01  0.111199D+01
      2   0.490330D+00  0.688206D+00 -0.296138D+01  0.230242D+01 -0.448676D+00
      3   0.688206D+00 -0.537113D+00  0.111199D+01 -0.448676D+00  0.988540D+00
               166           167           168           169           170 
      1  -0.429066D+01  0.314065D+01 -0.347612D+00  0.294377D+01 -0.934407D+00
      2   0.314065D+01 -0.272491D+01  0.644655D+00 -0.934407D+00  0.103128D+01
      3  -0.347612D+00  0.644655D+00 -0.124760D+01  0.117948D+01 -0.973053D+00
               171 
      1   0.117948D+01
      2  -0.973053D+00
      3   0.438761D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.364056D+01  0.313146D+01 -0.112230D+00  0.420444D+01  0.233000D+01
      2  -0.100442D+02  0.391163D+01  0.141254D+01  0.469900D+01 -0.667593D+01
      3  -0.594841D+01  0.627734D+01 -0.224592D+00  0.143854D+02  0.112835D+02
                 6             7             8             9            10 
      1  -0.963873D+00  0.416728D+00  0.312703D+01  0.158814D+00  0.387063D+01
      2   0.522079D+01 -0.856166D+01  0.525802D+01  0.205183D+02  0.754986D+01
      3   0.163579D+01 -0.149347D+01  0.317540D+01 -0.472032D+01  0.156855D+01
                11            12            13            14            15 
      1  -0.602258D+00 -0.274915D+00 -0.659889D+00  0.291964D+01 -0.498523D+01
      2  -0.154849D+01  0.367154D+01 -0.469710D+01  0.295327D+01 -0.114211D+01
      3  -0.569818D+01 -0.139400D+01  0.707593D+00 -0.109562D+02 -0.253499D+01
                16            17            18            19            20 
      1  -0.149432D+01  0.217171D+01 -0.268228D+01 -0.480736D+01  0.125641D+00
      2  -0.307548D+01 -0.724853D-01 -0.528709D+01 -0.146365D+01  0.192965D+01
      3  -0.648833D-01 -0.225012D+01  0.107532D+01  0.449433D+01 -0.421157D+01
                21            22            23            24            25 
      1  -0.125101D+01  0.503997D+00  0.205416D+01  0.364109D+00 -0.103430D+01
      2   0.218941D+01  0.516839D+01 -0.178986D+01  0.149035D+01 -0.828718D+01
      3   0.145433D+01  0.268095D+01  0.830290D+00  0.903785D+00 -0.171288D+01
                26            27            28            29            30 
      1   0.484555D+01 -0.282632D+01  0.293893D+01  0.336745D+01  0.977154D+00
      2  -0.148583D+00 -0.202035D+01 -0.751172D+01 -0.206887D+01 -0.540781D+01
      3   0.704367D+00 -0.465613D-01 -0.775272D+01  0.251384D+01 -0.188219D+01
                31            32            33            34            35 
      1   0.839943D+00 -0.731805D+01  0.453704D+00  0.146979D+01  0.357015D+01
      2   0.327400D+01  0.275514D+01  0.436651D+00 -0.124214D+02 -0.673703D+00
      3   0.437376D+01  0.204959D+01 -0.319460D+01 -0.706762D+01 -0.825439D+01
                36            37            38            39            40 
      1   0.639623D+01 -0.309669D+01 -0.909415D+00 -0.480837D+00 -0.578951D-01
      2   0.870625D+01  0.599481D+01  0.306719D+01  0.981274D+00 -0.264731D+01
      3  -0.195044D+01 -0.185510D+01 -0.109890D+01  0.732686D+00  0.525217D+01
                41            42            43            44            45 
      1   0.210210D+01 -0.495235D+01  0.208171D+01  0.308274D+01 -0.286287D+01
      2   0.230217D+01  0.188760D+01 -0.402442D+01  0.225293D+01  0.478953D+01
      3  -0.804915D+01 -0.185855D+01  0.272387D+01 -0.904014D+00 -0.287416D+01
                46            47            48            49            50 
      1   0.215120D+01 -0.651950D+01  0.159067D+01 -0.708588D+01 -0.645403D+01
      2  -0.100867D+02 -0.413552D+01  0.142475D+02 -0.284602D+01  0.251595D+01
      3  -0.405912D+01  0.152034D+01  0.104955D+01  0.609168D+01  0.538175D+01
                51            52            53            54            55 
      1  -0.955450D+01  0.110722D+01 -0.278325D+01  0.426231D+01 -0.794586D+00
      2   0.530486D+00  0.686303D+01  0.380908D+00  0.207112D+01  0.144013D+01
      3   0.405864D+01  0.127881D+01  0.306990D+01 -0.111521D+01  0.469650D+01
                56            57            58            59            60 
      1   0.873071D+00 -0.675891D+01  0.615439D+00 -0.469127D+01 -0.762003D+00
      2  -0.546238D-01  0.483327D+01 -0.654914D+00  0.148912D+01 -0.639371D+00
      3  -0.896776D+01  0.177828D+01  0.280625D+01  0.649639D+01 -0.206387D+01
                61            62            63            64            65 
      1  -0.556610D+01  0.866225D+01  0.553743D+01 -0.100923D+01 -0.295358D+01
      2  -0.202628D+00 -0.329611D+00  0.116799D+00 -0.131952D+01  0.234458D+01
      3   0.140270D+01 -0.278258D+01  0.726028D+01  0.208972D+01 -0.926271D+01
                66            67            68            69            70 
      1   0.185403D+01  0.467167D+00  0.249516D+01 -0.349041D+01 -0.616776D+00
      2   0.977725D+01  0.969889D+00 -0.529381D+01 -0.358421D+01  0.237226D+01
      3  -0.604459D+00  0.420977D+00  0.756145D+01  0.410175D+01  0.463330D+01
                71            72            73            74            75 
      1   0.427537D+01 -0.241110D+01  0.107224D+01 -0.200129D+00  0.235102D+00
      2  -0.321322D+01 -0.128913D+02  0.872070D+00 -0.531268D+00 -0.346916D+00
      3   0.761267D+01  0.364731D+01  0.270501D+00 -0.577675D+00 -0.603468D+00
                76            77            78            79            80 
      1  -0.257919D+00  0.144275D+00  0.326550D+00  0.175891D-01  0.359507D+01
      2  -0.137122D+01  0.272356D+00 -0.633823D-01 -0.340693D+01  0.170164D+00
      3   0.136524D+01 -0.215831D-01 -0.405536D+00  0.320858D+00 -0.199301D+00
                81            82            83            84            85 
      1   0.239714D+01 -0.124824D+01 -0.364386D-01 -0.587326D+00 -0.159999D+00
      2   0.822749D+00 -0.126172D+01 -0.155245D+00  0.270133D+00 -0.217550D+00
      3  -0.242325D+00  0.406324D+01  0.197513D+01  0.958385D+00  0.601335D+01
                86            87            88            89            90 
      1  -0.344313D+00 -0.358783D+01 -0.147232D+00  0.374214D-01 -0.172441D+00
      2  -0.103897D+01 -0.106203D+01 -0.174286D+01 -0.142126D+01 -0.619110D-01
      3   0.927896D+01  0.151622D+01  0.153718D+01  0.151196D+01  0.173019D+01
                91            92            93            94            95 
      1   0.331722D+01  0.212483D+01 -0.182938D+01  0.172921D+01  0.164129D+01
      2  -0.492446D+01 -0.299274D+01  0.341877D+01 -0.205839D+01 -0.155831D+01
      3   0.277526D+01 -0.276467D+01 -0.484917D+00  0.430888D+00 -0.171899D+01
                96            97            98            99           100 
      1  -0.894946D+00 -0.175531D+01 -0.734566D+00  0.108919D+01  0.115989D+01
      2   0.138732D+01  0.267690D+01  0.166194D+01 -0.211475D+01 -0.147761D+01
      3   0.944998D-01 -0.374181D+00  0.119012D+01 -0.318200D+00 -0.347696D+01
               101           102           103           104           105 
      1  -0.156941D+01  0.317870D+01 -0.157773D+01  0.195436D+01 -0.373291D+01
      2   0.923508D+00 -0.651159D-01  0.120892D+01 -0.123968D+01  0.339292D+00
      3   0.346926D+01 -0.255491D+01  0.582369D+01 -0.503340D+01  0.292047D+01
               106           107           108           109           110 
      1   0.249546D+01 -0.235389D+01  0.390659D+01 -0.103716D+01  0.127153D+01
      2  -0.207630D+01  0.973396D+00 -0.712388D+00  0.812902D+00  0.198120D+00
      3  -0.450021D+01  0.376215D+01 -0.373722D+01 -0.788293D+00 -0.479781D-02
               111           112           113           114           115 
      1   0.253255D+01  0.137043D+01 -0.302007D+01 -0.328043D+01  0.203933D+01
      2  -0.391732D+00  0.197878D+00  0.100146D+00  0.335098D+00 -0.237743D+01
      3   0.114060D+01  0.153136D+01 -0.113424D+01 -0.137762D+01  0.374386D+01
               116           117           118           119           120 
      1  -0.252366D+01 -0.119488D+02  0.248971D+01  0.324307D+01  0.104916D+01
      2   0.496877D+00  0.796588D+00 -0.304632D+00 -0.100627D+01  0.416057D+00
      3  -0.153528D+01 -0.263947D+01 -0.112296D+01 -0.315030D+01 -0.120678D+01
               121           122           123           124           125 
      1   0.279485D+01  0.131117D+02  0.172864D+01  0.151380D+01  0.389050D+01
      2  -0.258204D+01 -0.208294D+00  0.281018D+01 -0.188592D+01  0.865464D+00
      3  -0.213617D+00 -0.878797D+01 -0.217189D+01 -0.673824D+00 -0.152758D+01
               126           127           128           129           130 
      1   0.291146D+01  0.214195D+00 -0.230232D+01 -0.114993D+01 -0.960258D+00
      2   0.711368D+00  0.166908D+02  0.194850D+01 -0.636722D+01  0.171273D+01
      3  -0.223743D+01  0.408853D+01 -0.400661D+00 -0.138790D+01  0.198669D+01
               131           132           133           134           135 
      1   0.153516D+00  0.700880D+00 -0.582062D+00  0.255035D+01  0.574085D+00
      2   0.219957D+01 -0.146176D+01 -0.823825D+01 -0.148561D+01  0.698687D+01
      3   0.461082D+00 -0.142163D+01 -0.122433D+01 -0.286808D+00  0.173255D+01
               136           137           138           139           140 
      1  -0.287257D+01  0.456105D+01 -0.234850D+00  0.386662D+01 -0.502347D+01
      2  -0.387440D+01  0.249432D+01  0.579775D+00  0.355474D+01 -0.137452D+01
      3   0.415596D+00 -0.342998D+01  0.527941D+00 -0.454205D+00  0.364666D+01
               141           142           143           144           145 
      1   0.809490D+00 -0.120697D+01  0.303775D+01 -0.133116D+01 -0.553265D-01
      2  -0.174045D+01 -0.280663D+01 -0.155740D+00  0.702738D+00 -0.256232D+01
      3  -0.232551D+01 -0.209233D+00 -0.204416D+01  0.139726D+01  0.118413D+01
               146           147           148           149           150 
      1  -0.517112D-01 -0.652843D-01 -0.377881D+00  0.350946D-01 -0.416899D+00
      2  -0.364650D+00 -0.927278D-01 -0.634888D+00 -0.222476D+01 -0.350954D+01
      3  -0.106743D+01  0.378340D+00 -0.533756D+00  0.427739D+00  0.284930D+01
               151           152           153           154           155 
      1   0.305025D+00  0.344110D+01 -0.274411D+01 -0.135640D+01 -0.175529D+01
      2  -0.857449D+00 -0.295407D+01 -0.238556D+02  0.210656D+01  0.957882D+00
      3   0.559086D+00  0.340057D+01  0.270156D+01 -0.457484D+01 -0.599290D+01
               156           157           158           159           160 
      1  -0.446857D+00 -0.177180D+01 -0.496146D+01 -0.192137D+01 -0.174398D+00
      2   0.183630D+01  0.101378D+01  0.246308D+01  0.377037D+01  0.779266D+00
      3   0.377341D+00 -0.422439D+01 -0.185996D+02 -0.238043D+00  0.144617D+00
               161           162           163           164           165 
      1   0.566875D+00 -0.658691D+00  0.270411D+01 -0.179804D+01  0.177417D+01
      2   0.177182D+01 -0.781175D+00  0.806612D+01 -0.398781D+01  0.589417D+01
      3  -0.153981D+01 -0.180078D+01  0.404269D+01 -0.718100D+01  0.101718D+01
               166           167           168           169           170 
      1  -0.218517D+01  0.194148D+01 -0.269711D+01  0.102015D+01 -0.405886D+00
      2  -0.408991D+01  0.435333D+01 -0.500528D+01  0.411223D+01 -0.326646D+01
      3  -0.528325D+01  0.677299D+01 -0.178831D+01  0.976353D+00 -0.310310D+01
               171 
      1   0.133306D+01
      2   0.280235D+01
      3   0.213766D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.216419D+01  0.122127D+02 -0.184218D+02  0.150334D+02 -0.239048D+02
      2  -0.574123D+01 -0.288858D+01  0.871633D+01 -0.542953D+01  0.855029D+01
      3   0.790541D+01 -0.932414D+01  0.970545D+01 -0.960385D+01  0.153545D+02
      4   0.160393D+02 -0.200458D+02  0.602607D+01 -0.270043D+02 -0.134825D+02
      5  -0.200595D+02  0.262778D+01  0.703014D+01  0.187144D+01 -0.361343D+01
      6   0.142384D+01  0.222715D+01 -0.926206D+00  0.289352D+01  0.552545D+01
                 6             7             8             9            10 
      1   0.484772D+01 -0.232997D+02  0.719744D+01  0.148055D+02 -0.864921D+01
      2   0.131580D+01  0.838369D+01  0.348736D+00  0.656053D+01 -0.104276D-01
      3  -0.616351D+01  0.149160D+02 -0.754618D+01 -0.213660D+02  0.865963D+01
      4  -0.586570D+01  0.850575D+01 -0.798783D+01  0.790543D+01 -0.342261D+01
      5   0.720494D+01  0.355845D+01  0.694881D+01  0.284152D+02  0.145390D+02
      6  -0.512483D+00  0.390130D+00 -0.805432D+00 -0.105270D+02 -0.428477D+01
                11            12            13            14            15 
      1  -0.555568D+00  0.125642D+02 -0.127745D+01  0.174599D+02  0.241605D+01
      2  -0.242521D+01 -0.806630D+01 -0.118576D+01 -0.228036D+02 -0.358876D+01
      3   0.298077D+01 -0.449786D+01  0.246321D+01  0.534367D+01  0.117270D+01
      4   0.772934D+01 -0.352871D+01  0.142169D+02  0.452983D+01  0.344343D+01
      5  -0.848790D+00 -0.329175D+01 -0.556654D+00  0.359804D+01 -0.174149D+01
      6  -0.519914D-01  0.109575D+01  0.278408D+00 -0.552196D+01  0.321355D+01
                16            17            18            19            20 
      1   0.160643D+02  0.351433D+00  0.358365D+00 -0.838671D+01 -0.422056D+01
      2  -0.781978D+01 -0.191627D+01  0.177472D+01  0.115044D+02  0.345719D+00
      3  -0.824455D+01  0.156484D+01 -0.213308D+01 -0.311770D+01  0.387484D+01
      4  -0.521701D+01  0.382413D+01 -0.716142D+00 -0.160289D+01 -0.201417D+01
      5  -0.319567D+01 -0.399807D+00 -0.127361D+02 -0.376420D+01 -0.130519D+01
      6  -0.172531D+00 -0.788159D+00  0.250868D+01 -0.286669D+00 -0.816278D+00
                21            22            23            24            25 
      1  -0.774077D+00 -0.340785D+00 -0.245452D+00  0.156257D+01 -0.482724D+01
      2   0.155079D+01 -0.185780D+01 -0.447446D+01  0.443639D+00  0.187774D+01
      3  -0.776712D+00  0.219858D+01  0.471992D+01 -0.200621D+01  0.294950D+01
      4   0.797595D+00 -0.115732D+02 -0.750214D+00 -0.450701D+00  0.294148D+01
      5   0.160053D+01  0.141952D+01  0.674831D+00  0.186579D+01  0.165836D+01
      6  -0.136334D-01 -0.123894D+00  0.304543D+01 -0.282308D+01 -0.472766D+00
                26            27            28            29            30 
      1   0.421538D+01  0.103968D+02 -0.642933D+01  0.102959D+02  0.178185D+00
      2  -0.246956D+01  0.122751D+02  0.978799D+00 -0.594217D+01 -0.438800D+01
      3  -0.174582D+01 -0.226718D+02  0.545053D+01 -0.435377D+01  0.420981D+01
      4  -0.610315D+00 -0.111814D+01  0.107907D+02 -0.842685D+01 -0.687559D+01
      5  -0.330582D+00 -0.884709D+00  0.757464D+01 -0.651528D+01 -0.104952D+02
      6   0.263232D+01  0.132097D+01 -0.331825D+01  0.105723D+01 -0.149739D+01
                31            32            33            34            35 
      1   0.150066D+02  0.370949D+01 -0.394242D+01  0.126119D+02 -0.433168D+01
      2  -0.915299D+01 -0.756139D+01  0.873563D+01 -0.735839D+01 -0.191531D+01
      3  -0.585362D+01  0.385190D+01 -0.479321D+01 -0.525347D+01  0.624699D+01
      4  -0.609994D+01 -0.114962D+01 -0.340023D+00 -0.104290D+02  0.737485D+01
      5  -0.142285D+02  0.435446D+00 -0.119845D+01 -0.773866D+01  0.122346D+01
      6  -0.292176D+01 -0.572000D+01 -0.268016D+01 -0.169707D+01 -0.865313D+00
                36            37            38            39            40 
      1  -0.671788D+01 -0.156505D+02 -0.632718D+01  0.673971D+01 -0.611733D+01
      2   0.422204D+01  0.360070D+01  0.180185D+01 -0.377389D+01  0.325979D+01
      3   0.249584D+01  0.120498D+02  0.452533D+01 -0.296582D+01  0.285754D+01
      4   0.301025D+01 -0.133556D+02 -0.347022D+01  0.595883D+01  0.606285D+01
      5   0.143850D+02  0.659606D+01  0.342056D+01  0.644123D+01  0.694797D+01
      6  -0.511576D+01  0.494341D+01  0.225226D+01  0.114598D+01  0.490395D+01
                41            42            43            44            45 
      1  -0.158854D+02 -0.953265D+00  0.105413D+02  0.158541D+01 -0.455873D+01
      2   0.222202D+02 -0.194398D-02 -0.391951D+01  0.175575D+01 -0.285439D+01
      3  -0.633482D+01  0.955209D+00 -0.662178D+01 -0.334116D+01  0.741312D+01
      4   0.154796D+02  0.659414D+01  0.126188D+02  0.972945D+01  0.525240D+01
      5   0.680242D+01  0.701488D+01  0.990050D+01  0.802347D+01  0.123372D+02
      6   0.841406D+01  0.987912D+01  0.253153D+01  0.101511D+02  0.829848D+01
                46            47            48            49            50 
      1   0.112690D+02  0.503276D+01 -0.121405D+02  0.421250D+01 -0.555886D+01
      2   0.215566D+01 -0.852042D+00  0.262352D+01 -0.107047D+01  0.914418D+01
      3  -0.134247D+02 -0.418072D+01  0.951694D+01 -0.314203D+01 -0.358532D+01
      4   0.509589D+01 -0.136351D+02  0.811213D+01 -0.151454D+02 -0.337038D+01
      5  -0.609338D+01  0.895483D+01 -0.128201D+02  0.796297D+01 -0.196240D+02
      6   0.130523D+02 -0.126410D+02  0.265642D+00 -0.139785D+02 -0.561630D+01
                51            52            53            54            55 
      1   0.346725D+00 -0.112818D+02 -0.104349D+01 -0.582326D+01  0.104567D+02
      2  -0.518060D+00  0.176035D+01  0.138277D+00 -0.642865D+01 -0.726133D+01
      3   0.171334D+00  0.952142D+01  0.905212D+00  0.122519D+02 -0.319541D+01
      4  -0.115476D+02  0.662368D+01 -0.821863D+01  0.187297D+01  0.442743D+01
      5   0.435775D+01 -0.116462D+02  0.196389D+01  0.118201D+02 -0.124997D+01
      6  -0.128868D+02  0.780477D+00 -0.931708D+01  0.224320D+01  0.358534D+01
                56            57            58            59            60 
      1  -0.115923D+02  0.216797D+01 -0.780556D+01 -0.671324D+01 -0.225352D+01
      2   0.182704D+02 -0.262034D+01  0.140049D+02  0.167899D+02  0.393120D+01
      3  -0.667805D+01  0.452372D+00 -0.619933D+01 -0.100767D+02 -0.167769D+01
      4   0.668167D-01  0.227297D+01  0.699326D+01  0.151333D+02 -0.258345D+01
      5   0.173739D+01  0.254780D+01  0.630933D+00 -0.298356D+01  0.115807D+01
      6  -0.676948D+01  0.116736D+02 -0.531420D+01  0.408540D+01 -0.277655D+01
                61            62            63            64            65 
      1   0.349686D+01 -0.106038D+01  0.435822D+01  0.384396D+02 -0.961697D+01
      2  -0.312534D+01  0.390461D+01 -0.100236D+02 -0.205319D+02  0.319692D+01
      3  -0.371518D+00 -0.284423D+01  0.566534D+01 -0.179078D+02  0.642006D+01
      4   0.255234D+01 -0.220453D+01  0.953344D+01 -0.164907D+02  0.194953D+02
      5   0.430450D+01  0.292869D+01 -0.234280D+01 -0.163057D+02  0.693819D+01
      6   0.111534D+02 -0.632278D+01 -0.724337D+01  0.234894D+01 -0.214959D+01
                66            67            68            69            70 
      1  -0.890995D+01 -0.131684D+02  0.238237D+01  0.101806D+01 -0.139875D+02
      2   0.990688D+01  0.516244D+01  0.493172D+01 -0.261312D+01  0.943133D+01
      3  -0.996921D+00  0.800598D+01 -0.731410D+01  0.159506D+01  0.455615D+01
      4   0.705321D+01  0.176648D+02 -0.182157D+02 -0.871614D+01  0.613369D+01
      5   0.190690D+02  0.688819D+01 -0.890567D+01 -0.727327D+01  0.205228D+02
      6  -0.245178D+01 -0.367034D+01  0.313621D+01  0.746327D+01 -0.266578D+01
                71            72            73            74            75 
      1   0.606120D+00  0.305737D+01  0.636236D+00  0.213989D+00  0.154009D-01
      2  -0.487989D+00 -0.143425D+02 -0.454021D+01  0.349860D+00 -0.243855D+00
      3  -0.118131D+00  0.112852D+02  0.390397D+01 -0.563850D+00  0.228454D+00
      4  -0.124965D+02 -0.101962D+02  0.369775D-01  0.126092D+01 -0.564967D+00
      5  -0.878951D+01 -0.268202D+02 -0.328641D-01  0.152559D+00  0.581862D+01
      6   0.705270D+01  0.448769D+01 -0.293142D+00  0.336142D-01  0.250374D-01
                76            77            78            79            80 
      1   0.907583D+00 -0.368656D+01 -0.107008D+01  0.899740D+00  0.438973D+00
      2   0.331619D+00  0.291148D-01 -0.177880D+01 -0.112952D+00 -0.230719D+01
      3  -0.123920D+01  0.365745D+01  0.284888D+01 -0.786788D+00  0.186822D+01
      4   0.227655D+01 -0.520724D-01  0.397064D-01 -0.402156D+00  0.322267D+00
      5   0.145360D+00 -0.267665D+00 -0.193673D-01  0.505710D+01  0.264698D+00
      6   0.162561D+00  0.386316D+00  0.632458D+01  0.142963D+00  0.470361D+01
                81            82            83            84            85 
      1  -0.197257D+02 -0.139738D+01 -0.393303D+01 -0.219650D+01 -0.530314D+01
      2  -0.165149D+02  0.501672D+01  0.521186D+01  0.195237D+01  0.623297D+01
      3   0.362405D+02 -0.361934D+01 -0.127883D+01  0.244126D+00 -0.929836D+00
      4   0.769118D+00  0.766865D+00  0.388696D+01  0.907677D+00  0.276854D+01
      5   0.135073D+01 -0.142843D+01  0.668994D+00  0.109674D+01  0.117436D+01
      6  -0.312551D+01  0.143980D+01  0.107199D+01  0.778735D+00  0.833889D+00
                86            87            88            89            90 
      1  -0.196474D+02 -0.152011D+01 -0.316845D+01 -0.239822D+01 -0.433424D+01
      2   0.326216D+02  0.405167D+01  0.210683D+01  0.329323D+01  0.334066D+01
      3  -0.129742D+02 -0.253155D+01  0.106163D+01 -0.895016D+00  0.993577D+00
      4  -0.914644D+01 -0.164035D+01  0.572047D+00 -0.151767D+01 -0.121684D+01
      5  -0.161326D+01 -0.277998D+01  0.205571D+01 -0.181979D+01  0.569029D+00
      6   0.564211D+01  0.550622D+01  0.149662D+01  0.737931D+01  0.275662D+01
                91            92            93            94            95 
      1   0.341210D+02  0.141298D+02 -0.248460D+01  0.547557D+01  0.451009D+01
      2  -0.119964D+02 -0.258119D+01  0.216828D+00  0.938289D+00  0.233335D+01
      3  -0.221246D+02 -0.115486D+02  0.226777D+01 -0.641386D+01 -0.684343D+01
      4   0.268580D+02  0.183963D+02 -0.126548D+01  0.120013D+02  0.118297D+02
      5   0.182753D+01  0.121669D+01  0.469048D+01  0.414327D+00  0.609839D+00
      6  -0.117963D+01  0.937084D-01  0.238260D+01  0.219050D+00  0.200139D+00
                96            97            98            99           100 
      1  -0.448968D+00 -0.951886D+01 -0.444972D+01  0.310186D+01 -0.232742D+01
      2  -0.364993D+00  0.289937D+01  0.263150D+00 -0.133984D+01  0.543071D+01
      3   0.813961D+00  0.661949D+01  0.418657D+01 -0.176202D+01 -0.310329D+01
      4  -0.622935D+00 -0.910289D+01 -0.659698D+01  0.419092D+01 -0.577407D+01
      5   0.177399D+01  0.515142D+01  0.278735D+01 -0.192053D+01  0.302519D+01
      6   0.171606D+01  0.327063D+01  0.249317D+01 -0.151807D+01 -0.609136D+01
               101           102           103           104           105 
      1   0.792962D+01 -0.361715D+01  0.577279D+01 -0.148769D+02  0.639901D+01
      2  -0.127539D+02  0.430082D+01 -0.931262D+01  0.233160D+02 -0.878134D+01
      3   0.482428D+01 -0.683665D+00  0.353983D+01 -0.843902D+01  0.238233D+01
      4   0.100089D+02 -0.501380D+01  0.804675D+01 -0.944806D+01  0.428003D+01
      5  -0.333621D+01  0.365536D+01 -0.182060D+01  0.302069D+01 -0.166262D+01
      6   0.894937D+01 -0.735293D+01  0.646595D+01 -0.141468D+02  0.101869D+02
               106           107           108           109           110 
      1  -0.430732D+01  0.950439D+01 -0.844277D+01 -0.989545D+00  0.266302D+01
      2   0.449933D+01 -0.106631D+02  0.633584D+01  0.169451D+01 -0.413861D+01
      3  -0.192012D+00  0.115867D+01  0.210693D+01 -0.704963D+00  0.147559D+01
      4  -0.531317D+01  0.554225D+01 -0.540268D+01  0.445639D-01  0.339530D+01
      5   0.321234D+01 -0.275518D+01  0.302025D+01 -0.120753D+01 -0.234740D+00
      6  -0.735419D+01  0.142033D+02 -0.124013D+02  0.111550D+01 -0.208938D+01
               111           112           113           114           115 
      1   0.134164D+01  0.128688D+01 -0.475777D+01 -0.312869D+01  0.700340D+00
      2  -0.201933D+01 -0.186700D+01  0.715690D+01  0.468615D+01 -0.159673D+01
      3   0.677693D+00  0.580113D+00 -0.239913D+01 -0.155746D+01  0.896390D+00
      4   0.865535D+00  0.344339D+01 -0.201401D+01 -0.141176D+01  0.321760D+01
      5   0.150411D+01 -0.196550D+00 -0.147273D+00 -0.410469D+00  0.888332D+00
      6  -0.416179D+01 -0.169509D+01  0.461118D+01  0.741763D+01 -0.376401D+01
               116           117           118           119           120 
      1  -0.698603D+01 -0.679513D+01  0.357802D+01  0.312728D+01  0.184156D+01
      2   0.965197D+01  0.460902D+01 -0.368992D+01 -0.257607D+01 -0.305629D+01
      3  -0.266595D+01  0.218612D+01  0.111899D+00 -0.551209D+00  0.121473D+01
      4  -0.190394D+01 -0.326650D+01  0.498774D+01  0.785273D+01  0.187859D+01
      5  -0.748040D+00 -0.877789D-01  0.709499D+01  0.509891D+01  0.788775D+01
      6   0.832100D+01  0.173371D+02  0.305579D+01  0.640610D+01  0.244813D+01
               121           122           123           124           125 
      1   0.430440D+01 -0.225424D+01 -0.390901D+01  0.592669D+00 -0.246880D+01
      2  -0.370556D+01  0.161311D+01 -0.525973D+01 -0.168904D+01 -0.285396D+01
      3  -0.598843D+00  0.641134D+00  0.916874D+01  0.109637D+01  0.532276D+01
      4   0.799536D+01  0.157055D+02  0.700078D+01  0.110724D+01  0.436500D+01
      5   0.759688D+01  0.112811D+02  0.973883D+01  0.559433D+01  0.562270D+01
      6   0.699674D+01  0.189241D+02  0.102599D+02  0.245504D+01  0.900651D+01
               126           127           128           129           130 
      1  -0.281564D+01 -0.924223D+01 -0.373514D+01  0.132766D+02 -0.303921D+01
      2  -0.247199D+01 -0.977008D+00  0.143154D+01  0.367192D+01  0.162976D+01
      3   0.528763D+01  0.102192D+02  0.230359D+01 -0.169486D+02  0.140945D+01
      4   0.421908D+01  0.450156D+01  0.275307D+01 -0.311029D+01  0.349325D+01
      5   0.518256D+01 -0.135654D+02 -0.272026D+01  0.602543D+01 -0.264346D+01
      6   0.597802D+01 -0.538612D+01 -0.447482D+01  0.532742D+01 -0.304173D+01
               131           132           133           134           135 
      1  -0.356138D+01  0.291462D+01  0.102024D+02  0.260221D+01 -0.132136D+02
      2   0.820528D+00 -0.505640D+00  0.242552D+01 -0.118662D+00 -0.540334D+01
      3   0.274085D+01 -0.240898D+01 -0.126279D+02 -0.248355D+01  0.186169D+02
      4   0.130459D+01  0.809830D+00 -0.223028D+01  0.307575D+00  0.182302D+01
      5   0.274904D+00  0.237135D+00  0.748999D+01  0.857724D+00 -0.530629D+01
      6  -0.258898D+01  0.653524D+01  0.355024D+01  0.552458D+01 -0.515856D+01
               136           137           138           139           140 
      1   0.118155D+02 -0.467536D+01  0.308984D+01 -0.487843D+01 -0.147265D+01
      2  -0.890213D+01  0.163126D+01 -0.681045D+01  0.137316D+01  0.413404D+01
      3  -0.291332D+01  0.304410D+01  0.372061D+01  0.350527D+01 -0.266140D+01
      4  -0.144821D+02  0.131331D+02 -0.807662D+01  0.142877D+02 -0.153490D+02
      5   0.202663D+02 -0.116749D+02  0.171218D+02 -0.127969D+02  0.136931D+02
      6  -0.109506D+02  0.107668D+02 -0.826224D+01  0.111961D+02 -0.153761D+02
               141           142           143           144           145 
      1   0.329888D+01  0.187585D+01  0.235989D+01 -0.222215D+01  0.200137D+00
      2   0.195729D+01 -0.512468D+01  0.205181D+01 -0.568263D+01 -0.245517D+01
      3  -0.525617D+01  0.324883D+01 -0.441170D+01  0.790478D+01  0.225503D+01
      4   0.949796D+01 -0.541781D+01  0.608282D+01 -0.763662D+01 -0.209111D+01
      5  -0.121567D+02  0.131728D+02 -0.868475D+01  0.132136D+02 -0.362022D+01
      6   0.134360D+02 -0.655402D+01  0.987270D+01 -0.103690D+02  0.167966D+01
               146           147           148           149           150 
      1  -0.245794D+01 -0.540820D+01 -0.329709D+01 -0.378038D+00 -0.319906D+01
      2   0.117291D+01  0.277364D+01  0.149526D+01 -0.750211D+00  0.620725D-01
      3   0.128502D+01  0.263456D+01  0.180183D+01  0.112825D+01  0.313699D+01
      4   0.282435D+01  0.880263D+00  0.538531D+01 -0.180269D+01 -0.568565D+01
      5   0.765867D+00  0.604068D+01  0.196086D+01 -0.531546D+01 -0.600518D+01
      6   0.154804D+00  0.412216D+00 -0.159972D+01  0.349629D+01  0.827282D+01
               151           152           153           154           155 
      1  -0.656000D+01 -0.297040D+01 -0.152427D+02  0.128985D+02  0.881103D+01
      2   0.709856D+01 -0.326970D+00 -0.185088D+02 -0.395156D+01 -0.349939D+01
      3  -0.538561D+00  0.329737D+01  0.337515D+02 -0.894690D+01 -0.531164D+01
      4   0.201071D+01 -0.606799D+01 -0.627341D+01  0.922717D+01  0.135729D+02
      5   0.142462D+02 -0.584036D+01 -0.444954D+02  0.244145D+00 -0.164564D+01
      6  -0.240084D+01  0.801562D+01  0.127231D+02 -0.190775D+01 -0.239730D+01
               156           157           158           159           160 
      1   0.168168D+01  0.165453D+02  0.103710D+02 -0.118307D+01  0.550631D+01
      2  -0.503571D+00 -0.703351D+01  0.204489D+01  0.172524D+01 -0.186143D+01
      3  -0.117810D+01 -0.951175D+01 -0.124159D+02 -0.542169D+00 -0.364488D+01
      4  -0.592119D+00  0.167465D+02  0.312121D+02  0.151252D+00  0.877058D-01
      5   0.228140D+01 -0.419232D+01 -0.404721D+00  0.739082D+01  0.367870D+01
      6   0.657037D+00 -0.249351D+01 -0.718262D+01  0.237330D+01  0.114923D+01
               161           162           163           164           165 
      1   0.313396D+00  0.833557D-01  0.469315D+02 -0.175929D+02  0.758829D+01
      2   0.478402D+00 -0.157337D+01 -0.178791D+02  0.439026D+01 -0.249724D+01
      3  -0.791798D+00  0.149002D+01 -0.290524D+02  0.132027D+02 -0.509105D+01
      4   0.263662D+01  0.379735D+01 -0.257753D+02  0.193121D+02 -0.387520D+01
      5   0.433668D+01 -0.233991D+01  0.355853D+01 -0.145066D+01  0.749348D+01
      6   0.265816D+01  0.604394D+00  0.105369D+01 -0.162313D+01 -0.154613D+01
               166           167           168           169           170 
      1  -0.231721D+02  0.137792D+02 -0.242884D+01  0.161930D+02 -0.469934D+01
      2   0.589616D+01  0.134525D+01 -0.102951D+01 -0.614101D+01 -0.603734D-01
      3   0.172760D+02 -0.151244D+02  0.345836D+01 -0.100520D+02  0.475971D+01
      4   0.247726D+02 -0.206321D+02  0.444646D+01 -0.825871D+01  0.741940D+01
      5  -0.577775D+00  0.248468D+01 -0.749470D+01  0.842123D+01 -0.580762D+01
      6  -0.171211D+01  0.536143D+00  0.279189D+01 -0.205719D+01  0.218080D+01
               171 
      1   0.459861D+01
      2  -0.310558D+01
      3  -0.149303D+01
      4  -0.654743D+01
      5   0.403933D+01
      6  -0.949530D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524544D+00      0.133326D+01      0.444727D+01
   x         -0.109423D+00     -0.278125D+00     -0.927727D+00
   y         -0.400662D+00     -0.101838D+01     -0.339695D+01
   z         -0.320379D+00     -0.814323D+00     -0.271629D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.120987D+02      0.179284D+01      0.199481D+01
   xx         0.817942D+02      0.121206D+02      0.134860D+02
   yx         0.244032D-01      0.361618D-02      0.402354D-02
   yy         0.723062D+02      0.107147D+02      0.119217D+02
   zx        -0.239604D+01     -0.355056D+00     -0.395053D+00
   zy         0.178837D+01      0.265008D+00      0.294862D+00
   zz         0.698362D+02      0.103487D+02      0.115144D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.787086D+02      0.116634D+02      0.129773D+02
   aniso      0.128759D+02      0.190801D+01      0.212294D+01
   xx         0.863323D+02      0.127931D+02      0.142343D+02
   yx        -0.218150D+00     -0.323266D-01     -0.359681D-01
   yy         0.760961D+02      0.112763D+02      0.125466D+02
   zx        -0.260076D+01     -0.385392D+00     -0.428807D+00
   zy         0.185010D+01      0.274156D+00      0.305040D+00
   zz         0.736975D+02      0.109208D+02      0.121511D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.75026756         -0.15711797          0.31957025
     6          2.06418631          0.89413164          0.39051010
     6          0.11826952         -1.28759041          0.16235884
     6         -2.51772105         -0.30220051          0.77124117
     8         -2.79069695          0.24622394          3.25369674
     6          1.67001352          2.90368611         -1.64793261
     7          0.25115471         -2.51757682         -2.28856770
     8         -4.19161699          0.00838864         -0.73831367
     1          0.59189640         -2.67339358          1.61746430
     1          1.75053970          1.76689693          2.23637957
     1         -4.48525778          0.90975516          3.47799657
     1         -0.59378164         -4.23279565         -2.21981709
     1         -0.72782771         -1.49413257         -3.57957482
     1          2.03779575          2.12856072         -3.52402665
     1         -0.24790244          3.66383769         -1.63142045
     1          2.97318834          4.47510241         -1.35961371
     1          5.07458207         -1.48308483          1.86776534
     1          5.08910123         -1.14870337         -1.45391453
     1          6.12800392          1.36863401          0.49120195

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524544D+00      0.133326D+01      0.444727D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524544D+00      0.133326D+01      0.444727D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.120987D+02      0.179284D+01      0.199481D+01
   xx         0.822227D+02      0.121842D+02      0.135567D+02
   yx        -0.337069D+00     -0.499485D-01     -0.555752D-01
   yy         0.688503D+02      0.102026D+02      0.113519D+02
   zx        -0.545479D+00     -0.808316D-01     -0.899373D-01
   zy         0.113777D+01      0.168600D+00      0.187592D+00
   zz         0.728635D+02      0.107973D+02      0.120136D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.787086D+02      0.116634D+02      0.129773D+02
   aniso      0.128759D+02      0.190801D+01      0.212294D+01
   xx         0.868564D+02      0.128708D+02      0.143207D+02
   yx        -0.267926D+00     -0.397025D-01     -0.441750D-01
   yy         0.726287D+02      0.107625D+02      0.119749D+02
   zx        -0.386654D+00     -0.572962D-01     -0.637506D-01
   zy         0.110806D+01      0.164198D+00      0.182695D+00
   zz         0.766407D+02      0.113570D+02      0.126364D+02

 ----------------------------------------------------------------------
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 I WANT TO KNOW HOW GOD CREATED THE WORLD.  I AM NOT INTERESTED IN
 THIS OR THAT PHENOMENON, IN THE SPECTRUM OF THIS OR THAT ELEMENT.
 I WANT TO KNOW HIS THOUGHTS, THE REST ARE DETAILS.
     -- ALBERT EINSTEIN
 Job cpu time:       0 days  2 hours 10 minutes 11.5 seconds.
 Elapsed time:       0 days  0 hours 16 minutes 19.4 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:58:10 2021.
